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                             1770 gevonden resultaten
nr titel auteur tijdschrift jaar jaarg. afl. pagina('s) type
1 Ab-initio and pseudo-potential calculations on some first, second and third row molecules. A comparative study Wahlgren, Ulf
1978
1-10 2 p. 215-221
7 p.
artikel
2 Ab initio and pseudopotential investigations on the SiH n (n = 1–3) radicals and their anions Kalcher, Josef
1987
1-10 2 p. 273-284
12 p.
artikel
3 Ab initio and RRKM calculations for the decomposition channels of CH3OBr and BrCH2OH Papayannis, Demetrios K.
2002
1-10 2 p. 305-314
10 p.
artikel
4 Ab initio calculation of the potential energy surface and cross sections for the reactions Ne+ 2 + He → NeHe+ + Ne and Ne+ 2 + Ne + He Kuntz, P.J.
1979
1-10 2 p. 197-204
8 p.
artikel
5 Ab initio calculation of the potential energy surface of the system Li+/CO Staemmler, Volker
1976
1-10 2 p. 187-196
10 p.
artikel
6 Ab initio calculation of the X2Σ+ u state of He+ 2 and adjustment governed by translational spectroscopic measurements Maas, J.G.
1976
1-10 2 p. 217-225
9 p.
artikel
7 Ab initio calculations of oxygen nuclear quadrupole coupling constants and oxygen and silicon NMR shielding constants in molecules containing SiO bonds Tossell, J.A.
1987
1-10 2 p. 205-212
8 p.
artikel
8 Ab initio calculations of spin-orbit coupling in the SnH+ 4 ion Fernandez, Javier
1987
1-10 2 p. 201-207
7 p.
artikel
9 Ab initio calculations on intermolecular forces. II. An analysis of potential energy curves for HE… HF, He… H2O, H2… HF and H2 … H2O at large and intermediate distances Lishicka, Hans
1973
1-10 2 p. 191-202
12 p.
artikel
10 Ab initio CI calculation of the generalized oscillator strength for four transitions of the CO molecule Chantranupong, Lek
1992
1-10 2 p. 183-190
8 p.
artikel
11 Ab initio CI calculations of electronic and vibrational spectra of ZnCH3 Jamorski, Christine
1992
1-10 2 p. 191-196
6 p.
artikel
12 Ab initio CI study of the photodissociation of nitrosyl chloride (CINO) Solgadi, D.
1983
1-10 2 p. 225-233
9 p.
artikel
13 Ab initio computation of vibrational relaxation rate coefficients for the collisions of CO2 with helium and neon atoms Clary, D.C.
1982
1-10 2 p. 247-257
11 p.
artikel
14 Ab initio DFT study of the rotation barriers and competitive hydrogen bond energies (in gas phase and water solution) of 2-nitroresorcinol, 4,6-dinitroresorcinol and 2-nitrophenol in their neutral and deprotonated conformations Buemi, Giuseppe
2002
1-10 2 p. 181-195
15 p.
artikel
15 Ab initio MO calculations on the stable conformations and their binding energies of the ion-molecule complexes: Ion = H+, Li+, Na+, K+ Be2+, and molecule = CO and N2 Ikuta, Shigeru
1985
1-10 2 p. 235-242
8 p.
artikel
16 AB initio MRD CI potential curves, dipole moments and zero-field splittings for the X2Π ground states of the CF and CCl molecules Hess, Bernd A.
1986
1-10 2 p. 211-218
8 p.
artikel
17 Ab initio MRD-CI study of the rydberg states of methylene Römelt, Joachim
1981
1-10 2 p. 147-158
12 p.
artikel
18 Ab initio potential energy surface of the lowest triplet BH+ 2 collision complex Klimo, Viliam
1986
1-10 2 p. 207-211
5 p.
artikel
19 Ab initio SCF CL study of the electronic spectrum of nitroso-methane Ha, Tae-Kyu
1974
1-10 2 p. 300-306
7 p.
artikel
20 Ab initio SCF study on LiClO4 and Li 2 SO4 molecules: Geometries and vibrational frequencies Ramondo, F.
1991
1-10 2 p. 179-186
8 p.
artikel
21 Ab initio studies on hydrogen-bonded chains. III. The linear, infinite chain of hydrogen cyanide molecules Karpfen, Alfred
1983
1-10 2 p. 211-218
8 p.
artikel
22 Ab initio studies on hydrogen-bonded clusters. II. Structures and vibrational spectra of the hydrogen-bonded trimers (HCN)2HF, (HCN2)HCl, (NCH)2OH2 AND (NCH)2NH3 Rhee, Soon-Ki
1988
1-10 2 p. 199-213
15 p.
artikel
23 Ab initio study of β-lactam antibiotics. II. Potential energy surface for the amidic CN bond breaking in the 3-cephem + OH− reaction and comparison with the β-lactam + OH− reaction Petrongolo, Carlo
1980
1-10 2 p. 291-304
14 p.
artikel
24 Ab initio study of β-lactam antibiotics. I. Potential energy surface for the amidic CN bond breaking in the β-lactam + OH− reaction Petrongolo, Carlo
1980
1-10 2 p. 279-290
12 p.
artikel
25 Ab initio study of spin-forbidden unimolecular decomposition of carbon dioxide Hwang, Der-Yan
2000
1-10 2 p. 169-176
8 p.
artikel
26 Ab initio study of the ammoniated ammonium ions NH4 +(NH3)0–6 Wang, Bo-Cheng
2002
1-10 2 p. 93-106
14 p.
artikel
27 AB initio study of the HN2 + molecule ion and its dissociation products in ground and excited states Vasudevan, K.
1974
1-10 2 p. 149-165
17 p.
artikel
28 Ab initio study of the internal rotation in peroxyformic acid Petrongolo, Carlo
1977
1-10 2 p. 243-249
7 p.
artikel
29 Ab initio study of the O4 molecule Adamantides, V.
1980
1-10 2 p. 215-220
artikel
30 Ab initio study of the thermodynamic and kinetic stability of the ammonium radical Cardy, H.
1983
1-10 2 p. 287-299
13 p.
artikel
31 Ab initio study of the 2Πu electronic state of the AlH2 radical Nestmann, Bernd
1984
1-10 2 p. 257-264
8 p.
artikel
32 Absolute cross sections for the near-resonant electronic energy transfer reactions between metastable Xe atoms and N2 molecules Böhle, W.
1989
1-10 2 p. 313-321
9 p.
artikel
33 Absolute cross-sections for the nonresonant multi-photon ionization of toluene and xylene in the gas phase Walther, C.
2001
1-10 2 p. 243-250
8 p.
artikel
34 Absolute dipole oscillator strengths for molecular and dissociative photoionization of hydrogen fluoride Carnovale, F.
1983
1-10 2 p. 253-259
7 p.
artikel
35 Absolute dipole oscillator strengths for photoabsorption, photoionization and ionic photofragmentation processes in HBr Brion, C.E.
1985
1-10 2 p. 327-339
13 p.
artikel
36 Absolute oscillator strengths for photoabsorption, photoionization and ionic photofragmentation of sulphur dioxide. II. The S 2p and 2s inner shells Cooper, Glyn
1991
1-10 2 p. 251-261
11 p.
artikel
37 Absolute oscillator strengths for photoabsorption, photoionization and ionic photofragmentation of sulphur dioxide. I. The valence shell Cooper, Glyn
1991
1-10 2 p. 237-250
14 p.
artikel
38 Absolute partial photoionization cross sections of ethylene Grimm, F.A.
1991
1-10 2 p. 303-309
7 p.
artikel
39 Absorption and magnetic circular dichroism spectra of allene Fuke, Kiyokazu
1979
1-10 2 p. 211-216
6 p.
artikel
40 Absorption cross-section and density measurement of dye vapors Schmidt, J.
1987
1-10 2 p. 265-273
9 p.
artikel
41 Absorption, excitation and fluorescence spectra of lead activated ammonium chloride Pathak, N.L.
1975
1-10 2 p. 310-315
6 p.
artikel
42 Absorption spectra and energy levels of Sm3+:Y3Al5O12 Gruber, John B.
1987
1-10 2 p. 175-186
12 p.
artikel
43 Absorption spectra of conjugated hydrocarbon cation chains in neon matrices Freivogel, Patrick
1994
1-10 2 p. 335-341
7 p.
artikel
44 Absorption spectra of disordered solid tetracene and pentacene Hesse, R.
1980
1-10 2 p. 201-211
11 p.
artikel
45 Absorption spectra of the mono-adduct and eight bis-adduct regioisomers of pyrrolidine derivatives of C60 Kordatos, Konstantinos
2003
1-10 2 p. 263-280
18 p.
artikel
46 Accurate low density calculations of the transverse nuclear magnetic relaxation of H2 Sanctuary, B.C.
1979
1-10 2 p. 201-207
7 p.
artikel
47 Accurate MR CI studies of the N2 ground state Ahlrichs, Reinhart
1987
1-10 2 p. 265-269
5 p.
artikel
48 Acetone, a laser-induced fluorescence study with rotational resolution at 320 nm Zuckermann, Hanna
1992
1-10 2 p. 193-208
16 p.
artikel
49 A CI procedure using SCF MOs as basis functions. Application to HNO and NCO+ Wu, Ay-ju A.
1977
1-10 2 p. 173-186
14 p.
artikel
50 A classical mechanical study of the LiFH system Zeiri, Y.
1981
1-10 2 p. 239-247
9 p.
artikel
51 A close-coupling theory of associative detachment of electrons from negative ions Haywood, S.E.

1-10 2 p. 253-266
artikel
52 A cluster model of the charge transfer interaction between an impurity and the host molecular crystal Petelenz, Piotr
1991
1-10 2 p. 247-255
9 p.
artikel
53 A comparative picosecond spectroscopic study of the competitive triple fluorescence of aminosalicylates and benzanilides Heldt, Jozef
1989
1-10 2 p. 321-334
14 p.
artikel
54 A comparison of aqueous solvent models used in the calculation of the Raman and ROA spectra of l-alanine Jalkanen, K.J
2001
1-10 2 p. 125-151
27 p.
artikel
55 A comparison of different sudden approximations for molecular scattering Buck, U.
1977
1-10 2 p. 215-221
7 p.
artikel
56 A Comparison of radiationless transitions involving single-minimum and double minima potential energy surfaces Wassam Jr., W.A.
1979
1-10 2 p. 217-226
10 p.
artikel
57 A comparison of rate constants for vibrational relaxation in liquid argon and in the gas phase at the same temperature Buckingham, Mark R.
1985
1-10 2 p. 179-195
17 p.
artikel
58 A comparison of the theoretical and experimental electron density distribution in the cyanide and thiocyanate group Bats, J.W.
1977
1-10 2 p. 175-181
7 p.
artikel
59 A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach Roos, Björn O.
1980
1-10 2 p. 157-173
artikel
60 A computational study on Cu n N0,±1 (n=1–4) clusters by density functional methods Han, Ju-Guang
2003
1-10 2 p. 211-220
10 p.
artikel
61 A contribution to non-equilibrium chemical kinetics. II. Strongly non-equilibrium “hot” reactions in liquids and solids Temkin, A.Ya.
1985
1-10 2 p. 223-237
15 p.
artikel
62 A crossed beam study of the ionization of molecules by metastable neon atoms Aguilar, Antonio

1-10 2 p. 211-218
artikel
63 Addendum to superfine and hyperfine structures in the ν3 band of 32SF6: Evidence for a tensor spin-vibration interaction in spherical tops Bordé, Jacques
1984
1-10 2 p. 159-165
7 p.
artikel
64 A density functional approach of prototropic tautomerism of guanine Tian, Shan Xi
2001
1-10 2 p. 187-196
10 p.
artikel
65 A density functional theory calculation on lanthanide monosulfides Luo, Yi
2002
1-10 2 p. 197-206
10 p.
artikel
66 A detailed experimental study of the dissociative charge exchange of H2 + with Ar, Mg, Na and Cs targets at keV energies de Bruijn, D.P.
1984
1-10 2 p. 215-231
17 p.
artikel
67 Adiabatic approximation and non-adiabatic effects for open-shell atoms in an inert solvent: F atoms in solid Kr Krylov, A.I.
1994
1-10 2 p. 261-272
12 p.
artikel
68 Adiabatic polarization energy in a simple dense fluid Messing, Itzhak
1977
1-10 2 p. 183-189
7 p.
artikel
69 Adiabatic versus non-adiabatic effects in the vibrational excitation in NO/Ag scattering Gross, A.
1993
1-10 2 p. 497-508
12 p.
artikel
70 A direct, restricted-step, second-order MC SCF program for large scale ab initio calculations Jensen, Hans Jørgen Aa.
1986
1-10 2 p. 229-250
22 p.
artikel
71 A dissociative electroionization study of nitrous oxide. The O+ and N+ dissociation channels Olivier, J.L.
1984
1-10 2 p. 295-309
15 p.
artikel
72 Adsorption and decomposition of hydrazine on Ru(001) Rauscher, H.
1993
1-10 2 p. 473-496
24 p.
artikel
73 Adsorption kinetics involving precursor states and promoters Zhdanov, V.P.
1993
1-10 2 p. 519-532
14 p.
artikel
74 A DVR analysis of some vibrational modes in the elongated dihydrogen complex [Ru(η2-H2)(C5H5)(H2PCH2PH2)]+ Gelabert, Ricard
1999
1-10 2 p. 155-166
12 p.
artikel
75 A fluorescence characterization of the p-difluorobenzene-argon van der Waals complex. Energy levels, geometries and dissociation energies Su, Meng-Chih
1991
1-10 2 p. 261-280
20 p.
artikel
76 A fluorescence depolarization study of the order and dynamics of 1,8-diphenyloctatetraene in a nematic liquid crystal Arcioni, A.
1990
1-10 2 p. 259-270
12 p.
artikel
77 A fluorescence polarisation study of the CS2 + A ̃ 2 Π u → X ̃ 2 Π g and the B ̃ 2 Σ u +→ X ̃ 2 Π g transitions Shaw, D.A
2003
1-10 2 p. 239-251
13 p.
artikel
78 A free-electron theory of optical activity Balazs, N.L.
1976
1-10 2 p. 141-151
11 p.
artikel
79 A generalized Langevin equation approach to molecular collision dynamics Schatz, George C.
1978
1-10 2 p. 295-307
13 p.
artikel
80 A generalized log-derivative method for the treatment of asymmetric collinear reactions in hyperspherical coordinates Mrugala, F.
1987
1-10 2 p. 295-312
18 p.
artikel
81 A high intensity metastable neon trap Shimizu, Fujio

1-10 2 p. 327-331
artikel
82 A joint vibro-electronic mechanism in the dissociation of molecular hydrogen in nonequilibrium plasmas Cacciatore, M.
1978
1-10 2 p. 193-204
12 p.
artikel
83 Algebraic method for determining the potential energy surface for nonlinear triatomic molecules Zheng, Yujun
1999
1-10 2 p. 225-235
11 p.
artikel
84 A linear response approach to kinetics with time-dependent rate coefficients Berberan-Santos, M.N.
1992
1-10 2 p. 259-269
11 p.
artikel
85 A local density functional approximation for the ion distribution near a charged electrode in the restricted primitive model electrolyte Alts, T.
1987
1-10 2 p. 223-240
18 p.
artikel
86 A mass spectrometric photoionization study of CH3F. The CH+ 2, CH+ 3 and CH2F+ ion formation Locht, R.
1987
1-10 2 p. 305-313
9 p.
artikel
87 A master equation theory of excitonic annihilation phenomena for finite latices of low dimensionality Webber, S.E.
1980
1-10 2 p. 231-240
10 p.
artikel
88 A matrix-isolation study of the water-d 1 iodine atom complex and the equilibrium between its hydrogen-bonded and deuterium-bonded forms Engdahl, Anders
1985
1-10 2 p. 273-280
8 p.
artikel
89 A matrix isolation study of the water-formaldehyde complex. The far-infrared region Nelander, Bengt
1992
1-10 2 p. 281-287
7 p.
artikel
90 A metastable state of CO in Ar matrix at about 11 eV Bahrdt, J.
1990
1-10 2 p. 273-278
6 p.
artikel
91 A model for prestabilized electron relaxation Bartczak, W.M.
1979
1-10 2 p. 251-259
9 p.
artikel
92 A model for two-electron four-center mixed valence systems. Application to [W4O8Cl8(H2O)4]2− Girerd, J.J.
1983
1-10 2 p. 217-226
10 p.
artikel
93 A model of localization, soliton propagation, and self-trapping in an electronically excited atomic lattice Collins, Michael A.
1983
1-10 2 p. 191-214
24 p.
artikel
94 A model of spontaneous generation of population inversion in open quantum systems Čápek, V.
2002
1-10 2 p. 131-143
13 p.
artikel
95 A Modified statistical theory of collisional energy transfer in thermal reactions Bhattacharjee, Rakhal C.
1978
1-10 2 p. 217-241
25 p.
artikel
96 A Monte Carlo simulation of energy transfer processes in thermal unimolecular reactions. II. An applications to polyatomic dissociation Stace, A.J.
1980
1-10 2 p. 147-163
17 p.
artikel
97 A Monte Carlo simulation of Fe2+ aqueous solvation González-Lafont, A.
1987
1-10 2 p. 241-247
7 p.
artikel
98 A multi-coincidence study of the double, triple photoionization and fragmentation of the SiF4 molecule around the Si 2p edge Santos, A.C.F.
2002
1-10 2 p. 315-326
12 p.
artikel
99 An AB initio molecular orbital study of the NF2 and N2F4 molecules, and ESR hyperfine coupling constants in NF2 Hinchliffe, A.
1974
1-10 2 p. 271-276
6 p.
artikel
100 An ab initio molecular orbital study of the structure and vibrational frequencies of methyl copper hydride, CH3CuH Quelch, Geoffrey E.
1988
1-10 2 p. 183-187
5 p.
artikel
101 An ab initio study on MgX3 − and CaX3 − superhalogen anions (X=F, Cl, Br) Anusiewicz, Iwona
2003
1-10 2 p. 171-180
10 p.
artikel
102 An ab initio time-dependent Hartree–Fock study of solvent effects on the polarizability and second hyperpolarizability of polyacetylene chains within the polarizable continuum model Champagne, Benoı̂t
1998
1-10 2 p. 153-163
11 p.
artikel
103 An accurate computational determination of the relative stabilities and structures of small carbonium ions Hirao, K.
1984
1-10 2 p. 237-244
8 p.
artikel
104 An algorithm for analyzing the polarization-free picosecond fluorescence experiments on TICT, CT, PT and other relevant systems in solutions Fisz, J.J.
1995
1-10 2 p. 163-188
26 p.
artikel
105 Analysis of angular overlap parameters for Eu3+: Ln2O2S (LnLu, Y, Gd, La) crystal series Wu, Zhi-Jian
1992
1-10 2 p. 197-202
6 p.
artikel
106 Analysis of restricted rotation of the acetyl group in m- and p-nitroacetophenone anion radicals Branca, M.
1983
1-10 2 p. 253-262
10 p.
artikel
107 Analysis of vibronic intensities in the phosphorescence spectrum of dimethylbenzaldehydes in durene Després, A.
1984
1-10 2 p. 229-245
17 p.
artikel
108 Analytic energy second derivatives for paired-excited multi-configuration self-consistent-field wavefunctions. Application of the PE MCSCF model to H2O, CH2, HCN, HCCH, H2CO, NH3, CH4, and C2H4 Duran, Miquel
1988
1-10 2 p. 201-231
31 p.
artikel
109 An analytical approximation for the number of states along the reaction coordinate Agmon, Noam
1980
1-10 2 p. 249-260
12 p.
artikel
110 An analytical determination of the proton second moment from tunnelling methyl groups, together with a numerical estimate of its modification due to the experimental signal-to-noise ratio Allen, P.S.
1978
1-10 2 p. 197-202
6 p.
artikel
111 An approach to the estimation of polyatomic vibrational radiative relaxation rates Herbst, Eric
1982
1-10 2 p. 185-195
11 p.
artikel
112 An EPR study of solid solutions ZnAl2O4ZnCr2O4 Gesmundo, F.
1974
1-10 2 p. 307-313
7 p.
artikel
113 An ESCA-study of solid 2,4-hexadiyne-1,6-diol bis(toluenesulfonate) and its constituents before and after polymerization Knecht, J.
1978
1-10 2 p. 179-183
5 p.
artikel
114 A new intermolecular polarizable potential for cis-formic acid. Introduction of many-body interactions in condensed phases Hermida Ramón, Jose M.
1999
1-10 2 p. 155-169
15 p.
artikel
115 A new look at the retention of orbital alignment in collisions involving atoms in 1P electronic states: Ca(4sSp 1P) + He Pouilly, Brigitte

1-10 2 p. 191-209
artikel
116 A new method for incorporating momentum resolution effects and defining the momentum scale in electron momentum spectroscopy Bawagan, A.O.
1990
1-10 2 p. 167-178
12 p.
artikel
117 A new method of the investigation of quantum dynamics of the light atom exchange reactions Basilevsky, M.V.
1980
1-10 2 p. 231-248
18 p.
artikel
118 An explanation for the influence of substituents on the radiationless deactivation of 9,10-substituted anthracenes Jung, Ch.
1977
1-10 2 p. 227-233
7 p.
artikel
119 An extended Hückel study of hydrogen and oxygen chemisorption on Ru(001) surface Khanra, Badal C.
1983
1-10 2 p. 255-258
4 p.
artikel
120 An FTIR study of the rotation of ammonia in solid nitrogen Nelander, Bengt
1984
1-10 2 p. 283-294
12 p.
artikel
121 Angle-resolved photoelectron measurements on the 2p orbitals of Si in SiF4 and Si(CH3)4 in the gas phase Keller, P.R.
1983
1-10 2 p. 247-251
5 p.
artikel
122 Angle-resolved photoelectron spectroscopy of cyclopropane Keller, P.R.
1985
1-10 2 p. 317-321
5 p.
artikel
123 Angle-resolved photoelectron spectroscopy of the chloro-substituted methanes Keller, P.R.
1983
1-10 2 p. 269-276
8 p.
artikel
124 Angular correlation functions in the mean spherical model Quirke, N.
1977
1-10 2 p. 191-199
9 p.
artikel
125 Angular dependence of inductive effect and cis—trans influence in coordination compounds Nefedov, V.I.
1976
1-10 2 p. 241-254
14 p.
artikel
126 Angular dependence of UV photoemission spectra from clean Ru(001) and from adsorbed oxygen and CO Fuggle, J.C.
1975
1-10 2 p. 307-317
11 p.
artikel
127 Angular distributions using the artificial channel method: Application to 4HeD+ infrared photodissociation Atabek, O.
1985
1-10 2 p. 263-271
9 p.
artikel
128 Anharmonic calculation of bandwidths and frequency shifts in crystalline CO2 Procacci, Piero
1987
1-10 2 p. 171-186
16 p.
artikel
129 Anharmonicity and hydrogen bonding Perchard, J.P.
2001
1-10 2 p. 221-234
14 p.
artikel
130 Anharmonic processes in molecular crystals. Calculation of the anharmonic shifts, bandwidths and energy decay processes in crystalline naphthalene Della Valle, R.G.
1983
1-10 2 p. 179-195
17 p.
artikel
131 An improved potential for Xe+HCI from rainbow scattering Velegrrakis, M.
1990
1-10 2 p. 304-
1 p.
artikel
132 An interpretation of the O2 Auger electron spectrum Sambe, Hideo
1986
1-10 2 p. 331-344
14 p.
artikel
133 An investigation of the method of atoms-in-molecules Polák, R.
1981
1-10 2 p. 287-292
6 p.
artikel
134 Anion and cation absorption spectra of conjugated oligomers and polymers Deussen, M.
1992
1-10 2 p. 247-257
11 p.
artikel
135 Anisotropic interactions from double rainbows in Na atom—molecule collisions Buck, U.
1980
1-10 2 p. 217-229
13 p.
artikel
136 Anisotropic reorientation of perylene and 3,9-dibromoperylene in glycerol: fluorescence anisotropy decay and quantum-mechanical study Szubiakowski, Jacek
1996
1-10 2 p. 283-296
14 p.
artikel
137 Anisotropic rotation and libration of perylene in paraffin Zinsli, P.E.
1977
1-10 2 p. 299-309
11 p.
artikel
138 Anisotropy of the triplet spin—lattice relaxation in molecular crystals at low temperatures and high magnetic fields Vollmann, W.
1979
1-10 2 p. 239-250
12 p.
artikel
139 An MP2 study of the C2H2…CO complex and its isotopomers De Almeida, Wagner B.
1993
1-10 2 p. 185-193
9 p.
artikel
140 Anomalous magnetic effects. The role of association in the recombination of singlet radical pairs in liquids Shokhirev, N.V.
1991
1-10 2 p. 237-244
8 p.
artikel
141 A nonadiabatic description of electron transfer reactions involving large free energy changes Van Duyne, Richard P.
1974
1-10 2 p. 183-197
15 p.
artikel
142 A nonequilibrium statistical mechanics approach to reaction rate theory Grigolini, Paolo
1977
1-10 2 p. 161-172
12 p.
artikel
143 An SCF-state interaction method for coupled oscillator systems Tobin, Frank L.
1980
1-10 2 p. 151-159
9 p.
artikel
144 A photoabsorption and mass spectrometry study of pyrrole Rennie, E.E.
1999
1-10 2 p. 217-236
20 p.
artikel
145 A photoelectron study of the inner valence molecular orbitals of N2O Holland, D.M.P.
1990
1-10 2 p. 291-300
10 p.
artikel
146 A photoelectron study of the inner valence molecular orbitals of OCS Holland, D.M.P.
1990
1-10 2 p. 279-287
9 p.
artikel
147 Application of generalized transition state theory for calculation of the rate constant of a chemical reaction with charge transfer in a polar solvent Basilevsky, M.V.
1990
1-10 2 p. 155-166
12 p.
artikel
148 Application of matrix isolation spectroscopy for the diagnostic investigation of low pressure plasma. The systems carbon/hydrogen and carbon/oxygen Vepřek, S.
1975
1-10 2 p. 294-302
9 p.
artikel
149 Application of the independent events approximation to rotational transitions in the H+H2 and D+H2 reactions Nakamura, Masato
1990
1-10 2 p. 271-279
9 p.
artikel
150 Application of the large-curvature tunneling approximation to polyatomic molecules: Abstraction of H or D by methyl radical Garrett, Bruce C.
1989
1-10 2 p. 271-293
23 p.
artikel
151 Applications of the RISM equation to diatomic fluids: the liquids nitrogen, oxygen and bromine Hsu, C.S.
1976
1-10 2 p. 213-228
16 p.
artikel
152 Approximate D4d symmetry of the cation site in hexahydrated trichlorides of rare earths and actinides Couture, L.
1984
1-10 2 p. 307-313
7 p.
artikel
153 Approximate evaluations of the electrostatic free energy and internal energy changes in solution processes Miertus̃, S.
1982
1-10 2 p. 239-245
7 p.
artikel
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156 Approximate molecular orbital theory: the ese MO formalism. I. General theory and notation Burton, P.G.
1974
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157 Approximate molecular orbital theory: the ese mo formalism. II. Direct comparison with ab initio results Burton, P.G.
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159 A priori calculations on vibronic coupling in the 1B2u  1Ag (3200 Å) and higher transitions of naphthalene Robey, M.J.
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160 A proton magnetic relaxation study on kinetic isotope effects and hydrogen lifetimes in acid groups of acetic acid and poly (methacrylic acid) in aqueous solutions enriched with 17O Schriever, J.
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164 A quantum mechanical study of dissociative He+H2 collisions Nobusada, K.
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165 A Quasiclassical trajectory study of collisional excitation in O(3P)+CO2 Schatz, George C.
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166 A quasiclassical trajectory study of molecular energy transfer in H2He collisions Dove, John E.
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167 A quasi-hard wall model for the scattering of atomic beams from solid surfaces Maniv, Tsofar
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168 Are new chemical species in anthracene crystals formed as a result of charge-carrier trapping at physical defects? Zboiński, Zbigniew
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169 ArF laser photodissociation of NH3 at 193 nm: internal energy distributions in NH2 X̃2B1 and Ã2A1, and two-photon generatin of NH A 3Π and b 1Σ+ Donnelly, V.M.
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170 A scaling theoretical analysis of vibrational relaxation experiments: rotational effects and long-range collisions DePristo, Andrew E.
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171 A semiclassical approach to collisional ionization with application to the ArHe system Lam, Kai-Shue
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172 A simple chemical model for the electron polarization of cyclopentyl radicals produced in radiolysis Wong, S.K.
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173 A simple method for calculating the corrugation of metal surfaces Lehnert, W.
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174 A simple method for the fast calculation of charge redistribution of solutes in an implicit solvent model Dias, L.G.
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175 A simple model for molecular vibrations in solution: Application to hydrogen fluoride and its dimer in polar and non-polar solvents Del Valle, F.J.Oliveres
1987
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176 A simple numerical model of vibrational energy transfer in polyatomic gases Bailey, R.T.
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177 A simple reliable approximation for isotropic intermolecular forces. A critical test using HH(3Σu +) as a model Ng, Kin-Chue
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178 A sliding mass model to rationalize effects of reagent rotation on reaction cross sections Loesch, Hansjürgen
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179 Assignment of the UV photoelectron spectra of the azoles by Ab initio multi-reference configuration interaction calculations Palmer, M.H.
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180 A stochastic theory of collision phenomena, distribution of observables and information entropy Eu, Byung Chan
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181 A structural jellium model of cluster electronic structure Lin, Zhenyang
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182 A study of aluminium monofluoride and aluminium trifluoride by high-temperature photoelectron spectroscopy Dyke, J.M.
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183 A study of magnetic ordering and phase transitions in ferrous iodide by means of high field 57Fe Mössbauer spectroscopy Calis, G.H.M.
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184 A study of the absolute photoabsorption, photoionization and photodissociation cross sections and the photoionization quantum efficiency of oxygen from the ionization threshold to 490 Å Holland, D.M.P.
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185 A study of the ground and low-lying states of MgC2H2 + and MgC2H4 + Sodupe, Mariona
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186 A study of the molecular structure and spectroscopic properties of tetrahydro[4]beltene and related compounds Galasso, V.
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187 A study of the phenyl radical by vacuum ultraviolet photoelectron spectroscopy Butcher, V.
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188 A study of the threshold photoelectron spectra and the photoionisation yield curves of the silicon tetrahalides Cooper, L.
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190 A study of the vibrational motions of water in an aqueous CaCl2 solution Bopp, P.
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191 A study of the weinhold-wang bounds to overlap integrals Leopold, J.G.
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192 A study of unitary approaches to inelastic scattering Ewing, Thomas F.
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193 A systematic study of molecular vibrational anharmonicity and vibration—rotation interaction by self-consistent-field higher-derivative methods. Asymmetric top molecules Clabo Jr., D.Allen
1988
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194 A test of the semiclassical Wigner method for the reaction F + H2 → H + HF (chemical physics 195 (1995) 243–258) Azriel, W.M.
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195 A theoretical analysis of magnetic circular dichroism ofthe 7F0 → 5D1 and 7F1 → 5D0 transitions in solutions of EuC Sage, Martin L.
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196 A theoretical explanation for quantum yield failure in bacterial photosynthetic reaction centers Franzen, Stefan
2002
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197 A theoretical investigation of the electric field dependence of core ionization phenomena in carbon monoxide Clark, David T.
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198 A theoretical investigation of the variation with pressure of the ultraviolet absorption spectrum of crystalline anthracene Gisby, J.A.
1988
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199 A theoretical study of the condensation reactions of methyl cation with ammonia, water, hydrogen fluoride and hydrogen sulphide Nobes, Ross H.
1983
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200 A theoretical study of the decomposition of halogenated alkoxy radicals. I. Hydrogen and chlorine extrusions Rayez, J.C.
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201 A theoretical study of the decomposition of halogenated alkoxy radicals. II. Fluorine extrusion Rayez, J.C.
1987
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202 A theoretical study of the geometrical properties of tellurite complexes Strömberg, Ann
1985
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203 A theoretical study of the interaction of iron and nickel with nitrogen Siegbahn, Per E.M.
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204 A theoretical study on the internal rotation and hyperfine structures of the ethyl radical (CH3-CH2) Suter, H.U.
1991
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205 A theoretical study on the ionic states and the photoelectron spectrum of dichloromethane (CH2Cl2) Takeshita, Kouichi
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206 A theoretical study on the ionic states of difluoroethylene with an analysis of the vibrational structure of the photoelectron spectra Takeshita, Kouichi
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207 A theory of electron transfer reactions at film-covered metal electrodes Schmickler, W.
1977
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208 Atom-atom interaction model and internal vibrational exciton splittings in organic charge-transfer complexes: Factor group splittings of naphthalene vibrations in several crystalline complexes Chen, Freeman P.
1978
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209 Atom scattering from ordered structures of adsorbates on surface Petrella, Giuseppe
1990
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210 Atoms-in-molecules calculations on diatomic fragments of polyatomic systems. HeH and HeH+ Polák, R.
1981
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211 A trajectory surface-hopping study of chemical reaction and collision-induced dissociation in the HD++He system Dong, Keling
1994
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212 A trajectory surface-hopping study of Cl− + H2 reactive collisions. II. Results at high energy Sizun, Muriel
1989
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213 Auger transition amplitudes from general many-electron wavefunctions Manne, Rolf
1985
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214 A unified theory of radiative and radiationless molecular energy transfer Andrews, D.L.
1989
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215 A variational plus perturbational calculation of triplet states of polyatomic molecules. II. Aliphatic carbonyls and azabenzenes Leclercq, J.
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216 A variational plus perturbational calculation of triplet states of polyatomic molecules. I. Outline of the method Leclercq, J.
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217 A variety of properties of the a 1Δ excited state of PF computed by configuration interaction calculations de Brouckère, G.
2001
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218 Averaging of the reactivity anisotropy by the reagent translational motion Doktorov, A.B.
1981
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219 Band structure calculations for ethylene and urea Middlemiss, K.M.
1973
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220 Band structure of charge transfer excitons in anthracene Petelenz, Piotr
1989
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221 Barrier heights from optical torsional transitions Piseri, L.
1977
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222 Basic and acidic bifunctional catalysis: application to the tautomeric equilibrium of formamide Constantino, Erika
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223 Basis set dependence of magnetic shielding constant calculated by the Hartree-Fock/finite perturbation method Higashioji, Takuji
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224 Beam maser rotational relaxation measurements on OCS Williams, J.R.
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225 Behavior of the rate constant for reactions in restricted spaces: case of luminescence quenching in water-in-oil microemulsions Lianos, P.
1993
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226 Binary (e,2e) spectroscopic study of carbonyl sulfide and the momentum-space chemistry of CO2, CS2 and OCS Leung, K.T.
1985
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227 Binary theory of dephasing in liquid solutions. II. Motion-transformed isotropic Raman spectra Kipriyanov, A.A.
1983
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228 Binary theory of dephasing in liquid solutions. I. The non-markovian theory of encounters Kipriyanov, A.A.
1983
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229 Binding energies and structures of NH3 clusters Greer, J.C.
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230 Bonding and vibrations of CO molecules adsorbed at transition metal impurity sites on the MgO (001) surface. A density functional model cluster study Neyman, K.M.
1993
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231 Bond-selective photodissociation of CX (X = Br,I) in XC2H4C2F4X Zhang, Linyang
1990
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232 Branching ratios and radiative rates of matrix-isolated NH in argon: The b 1Σ+→a 1Δ, X 3Δ− and a 1Δ− transitions Ramsthaler-Sommer, A.
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233 Breathing-sphere quantum calculations of integral and differential cross sections for vibrational excitation in ion (atom)—diatom collisions Drolshagen, Gerhard
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234 Brillouin scattering and refractive index measurements on low temperature liquids. I. Methane, CH4 and CD4 Yoshihara, A.
1980
1-10 2 p. 183-191
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235 Brillouin spectra and intermolecular potential of crystalline benzene Brunel, Louis-Claude
1979
1-10 2 p. 201-210
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236 Bromine-bromine energy transfer by binary collisions Jolly, D.L.
1984
1-10 2 p. 261-270
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237 Brownian dynamics studies of dilute dispersions Gaylor, K.J.
1979
1-10 2 p. 233-239
7 p.
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238 Bulk rotational relaxation time and cross-section in gas mixtures Terzić, M
2001
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239 Calculated ro-vibrational fine-structure spectrum and weak-field zeeman splittings of the O2Ar van der Waals molecule Tennyson, Jonathan
1983
1-10 2 p. 195-202
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240 Calculation and spectroscopic assignment of charge-transfer states in solid anthracene, tetracene and pentacene Bounds, P.J.
1985
1-10 2 p. 197-212
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241 Calculation of chiral discrimination for the adsorption of L- and D-alanine molecules on crystalline cellulose Alvira, E.
1987
1-10 2 p. 233-240
8 p.
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242 Calculation of optical absorption and magnetic circular dichroism lineshapes of the B-band in KBr: In+ Jacobs, P.W.M.
1980
1-10 2 p. 183-187
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243 Calculation of partial enthalpies of an argon-krypton mixture by NPT molecular dynamics Sindzingre, P.
1989
1-10 2 p. 213-224
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244 Calculation of rotational g-factors and magnetic susceptibilities of H3 + Oddershede, Jens
1988
1-10 2 p. 291-296
6 p.
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245 Calculation of SNP effects in weak magnetic fields Osintsev, A.M.
1993
1-10 2 p. 237-245
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246 Calculation of spin-forbidden radiative transitions using correlated wavefunctions: Lifetimes of b1Σ+, a1Δ states in O2, S2 and SO Klotz, Rainer
1984
1-10 2 p. 223-236
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247 Calculation of the elastic constants of phenanthrene crystals Kulver, R.
1987
1-10 2 p. 239-242
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248 Calculation of the hydrogen dimer spectrum in zero magnetic field Verberne, J.
1981
1-10 2 p. 189-200
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249 Calculation of the inner shell excitation spectra and estimation of the electron scattering and dissociative attachment resonance energies of SF6, SO2, SF2O, SF2O2, SF4, SF4O and S2F10 Tossell, J.A.
1991
1-10 2 p. 211-219
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250 Calculation of the vertical electronic spectrum of propane Richartz, Adolf
1978
1-10 2 p. 187-196
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251 Calculation of vibrational deactivation of HF(1 ⩽n ⩽ 7) by DF(0) and of DF(1 ⩽ n ⩽ 7) by HF(0) Poulsen, Lise Lotte
1979
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252 Calculations of static characteristics of the ionization event in low-energy He (2 3S)-H2 collisions Vojtík, J.
1993
1-10 2 p. 209-220
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253 Calculations on the vibrational level density in highly excited formaldehyde Rashev, Svetoslav
2003
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254 13C anisotropic chemical shift in organic solids: Benzoic acid and derivatives, benzophenone, and thiobenzophenone Kempf, J.
1974
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255 Carbon-13 NMR chemical shift and electronic structure of polypeptide as studied by tight-binding MO theory: poly (β-benzyl L-aspartate) with the right-handle α-helix and left-handed α-helix forms Yamanobe, Takeshi
1985
1-10 2 p. 259-264
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256 Carrier range on conjugated polymers as molecular wires. Example: polydiacetylene, 4BCMU Donovan, K.J.
1999
1-10 2 p. 293-298
6 p.
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257 Catalytic oxidation of carbon monoxide: a lattice gas non-thermal Langmuir–Hinshelwood mechanism Khan, K.M
2002
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9 p.
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258 Cavity boundaries in the ab initio polarizable continuum model del Valle, F.J.Olivares
1993
1-10 2 p. 161-165
5 p.
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259 CEPA calculations of potential energy surfaces for open-shell systems. V. The O2-He Van der Waals potential Jaquet, R.
1986
1-10 2 p. 243-257
15 p.
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260 CF2 and CFCl fluorescence from VUV excitation of C2F3Cl Nee, J.B.
1987
1-10 2 p. 265-269
5 p.
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261 Characterization of the B̃←X̃ transition of the chlorobenzene cation prepared in non-equilibrium rotational population distributions by resonance-enhanced multiphoton ionization Morlet-Savary, F.
1992
1-10 2 p. 303-311
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262 Characterization of the mercaptobenzothiazole bonding on cadmiumsulfide by MO interpretation of N K XANES results Flemmig, Beate
2002
1-10 2 p. 117-123
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263 Charge separation reactions of the CF2+ and CCl2+ dications Curtis, J.M.
1987
1-10 2 p. 241-248
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264 Charge transfer theory of hydrogen bonds: relations between vibrational spectra and energy of hydrogen bonds Ratajczak, Henryk
1976
1-10 2 p. 197-216
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265 Chemical and hydrodynamic stability of an interface with an autocatalytic reaction Steinchen-Sanfeld, A.
1973
1-10 2 p. 156-160
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266 Chemical effects of low-energy electron impact on hydrocarbons in the gas phase. IV. Methane Nectoux, P.
1979
1-10 2 p. 229-238
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267 Chemical exchange dynamics and structure of intramolecular OHO bridges: an ESR and indo study of 2-hydroxy- and 2,6-dihydroxy-phenoxyl Loth, K.
1976
1-10 2 p. 95-113
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268 Chemical potential of triatomic polar liquids; a computer simulation study Guissani, Y.
1985
1-10 2 p. 271-276
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269 Chemical potential, partial enthalpy and partial volume of mixtures by NPT molecular dynamics Heyes, D.M.
1992
1-10 2 p. 149-167
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270 Chemi-ionization reactions of Ca, Sr, Ba, and Yb atoms with the halogen and interhalogen molecules Diebold, G.J.
1977
1-10 2 p. 265-269
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271 Chemisorption and the properties of metal clusters Bauschlicher Jr., Charles W.
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272 Chemistry of vibronic coupling. Part 1: How to maximize vibronic coupling constants in a diabatic harmonic potential model? Grochala, Wojciech
2001
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273 Chirality-dependent two-photon absorption probabilities and circular dichroic line strengths: theory, calculation and measurement Gunde, Kevin E.
1996
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274 CH3O(X̄ 2E) production from 266 nm photolysis of methyl nitrite and reaction with NO Sanders, N.
1980
1-10 2 p. 203-208
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275 Chromodynamics of high-energy impact Abraham, Farid F.
1989
1-10 2 p. 263-271
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276 CI calculations of electron and x-ray scattering cross sections of non-linear molecules: H2O and NH3 Breitenstein, Martin
1987
1-10 2 p. 199-203
5 p.
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277 CIDNP kinetics in homogeneous recombination of radicals Krissinel', E.B.
1993
1-10 2 p. 207-217
11 p.
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278 Circularly polarized Raman spectra of IrCl6 2− and FeBr4 −: Spin—orbit induced antisymmetry Stein, Paul
1977
1-10 2 p. 237-244
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279 Classical dynamics of multiphoton dissociation for a model system Martin, David L.
1982
1-10 2 p. 203-220
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280 Classical rotational and centrifugal sudden approximations for atom—molecule collisional energy transfer Mulloney, Thomas
1980
1-10 2 p. 213-223
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281 Classical rotational cross sections for H2—HD and HD—HD collisions Gelb, Alan
1979
1-10 2 p. 141-148
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282 Classical solvent dynamics in electron transfer reactions Helman, A.B.
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1-10 2 p. 271-280
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283 Classical trajectory study of rotational excitation of HD by collisions with He Gelb, A.
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1-10 2 p. 245-249
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284 Classical trajectory study of the effects of parent-molecule bending and overall rotation in polyatomic direct photofragmentation. Model ICN + hν → CN + I Pattengill, M.D.
1983
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285 Cl Calculations on the alkaline-earth atoms: A comparison with 2ph-TDA green function results De Alti, G.
1985
1-10 2 p. 225-235
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286 Close-coupling elastic and inelastic integral and differential cross sections for Li+ + H2 collisions McGuire, Paul
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1-10 2 p. 249-258
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287 Cluster approach to ion association reactions in electrolyte solutions Ciccotti, G.
1984
1-10 2 p. 333-338
6 p.
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288 Cluster expansion of the wavefunction. Outer- and inner-valence ionization spectra of CS2 and COS Nakatsuji, Hiroshi
1983
1-10 2 p. 283-293
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289 Clustering phenomena in adhesive hard sphere fluids. Theory of freezing Barboy, B.
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1-10 2 p. 231-252
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290 C-13 magnetic relaxation rates and H-1 and C-13 paramagnetic shifts of Ni(II) complex of dopamine Lai, A.
1982
1-10 2 p. 271-277
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291 13C NMR spectra for IPR isomers of fullerene C86 Sun, Guangyu
2002
1-10 2 p. 107-114
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292 CN radical reactions with selected olefins in the temperature range of 174–740 K Yang, D.L.
1992
1-10 2 p. 317-325
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293 Coexistence curve of a binary mixture Jacobs, D.T.
1977
1-10 2 p. 219-226
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294 Coherent amplification in fluorescent dye solutions. III. On the merits of inverse Raman spectroscopy for the rejection of sample fluorescence Baran, Jan
1984
1-10 2 p. 331-337
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295 Coherent amplification in fluorescent dye solutions. II. The inverse pre-resonance Raman spectrum of rhodamine 6G Baran, Jan
1984
1-10 2 p. 321-329
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296 Coherent amplification in fluorescent dye solutions. I. The fluorescence gain spectrum of cresyl violet Baran, Jan
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1-10 2 p. 305-319
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297 Coherent averaging of electron spins by rotary echoes in excited triplet states Tarrasch, M.E.
1979
1-10 2 p. 293-301
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298 Coherent pumping of microwave transitions between highly excited states Bottcher, C.
1981
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299 Coherent state versus localized state quantum dynamics of isomerization reactions Russegger, Peter
1982
1-10 2 p. 161-166
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300 Collimation of a rubidium beam below the Doppler limit Sheehy, B.

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301 Collinear collisions in a well potential Schlier, Christoph G.
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302 Collinear proton transfer in a symmetric bihalide system Chapman, Sally
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303 Collisional deactivation of vibrationally hot vinyl chloride by He, Ar, N2 and Co2 Avila, María J.
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1-10 2 p. 231-239
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304 Collisional deactivation rates for A 2Σ+ (ν′ = 1) state of OH Burris, John
1988
1-10 2 p. 251-258
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305 Collisional dissociation of CH2Br+ 2 in selected internal energy states Baer, Tomas
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1-10 2 p. 325-330
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306 Collisional ionization of alkali atoms by vibrationally excited N2 Haug, R.
1974
1-10 2 p. 255-264
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307 Collisional relaxation times in a three-level maser Bottcher, C.
1977
1-10 2 p. 319-326
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308 Collision dyanamics of collision induced intersystem crossing processes Freed, Karl F.
1978
1-10 2 p. 249-266
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309 Collision-induced absorption in non-polar molecular liquids: Tetrahedral molecules Arning, H.-J.
1982
1-10 2 p. 177-184
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310 Collision-induced rotational transitions in nali(1Π) Ottinger, Ch.
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1-10 2 p. 161-171
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311 Collision-interrupted librational model for molecular reorientation in liquids Deb, S.K.
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1-10 2 p. 225-234
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312 Collision transfers between CdH A 2Πυ′ = 0 rotational states induced by He or Ar Dufayard, J.
1982
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313 Collsion-induced asymptotic curve hopping in iodine Sceats, Mark G.
1985
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314 Comment on “Core-level anionic photofragmentation of OCS” [Chem. Phys. 289 (2003) 45–49] Brems, Vincent
2003
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315 Comment on “laser-induced fluorescence of N2(X 1Σ+ g and electron-impact excited N2 + (X 2Σ+ g in a pulsed supersonic beam: Rotational distributions”, by H. Helvajian, B.M. Dekoven and A.P. Baronavski Dagdigian, P.J.
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316 Comment on “perturbational and variational treatments of the morse oscillator” Lehmann, Kevin K.
1989
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317 Comment on the electronic structure of polydiacetylenes Yarkony, David R.
1978
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318 Comment on the relation between the nonadiabatic coupling and the complex intersection of potential energy curves Jaffe, Richard L.
1977
1-10 2 p. 249-255
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319 Comments on self-terms in crystal dynamics Neto, N.
1979
1-10 2 p. 245-250
6 p.
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320 Comparative study of the structures and energies of the SiX3, GeX3 and SnX3 series of radicals (X = H, F, Cl) Moc, Jerzy
1992
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14 p.
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321 Comparison of approximate theories of the potential of mean force in polar/non-polar mixtures Martina, Esteban
1978
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322 Comparison of classical mechanics and the coupled states approximation for Li+-CO scattering on an ab initio calculated CI potential energy surface Thomas, L.D.
1978
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323 Comparison of synchronous and asynchronous hydrogen transfer mechanisms in free-base porphyrins Smedarchina, Zorka
1989
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324 Comparison of the numerical matrix multiplication and quantum Monte Carlo simulations: calculation of spatial delocalization parameters Schmidt, Roger G.
1997
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325 Competition between dissociation and exchange processes in a collinear A + BC collision. I. Exact quantum results Leforestier, Claude
1984
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326 Competitive collisional activation in vibrational energy transfer with cyclopropane-1t 1-2,2d 2. A three-channel system Krongauz, V.V.
1982
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327 Competitive shell-filling in protonated helium clusters Gianturco, F.A.
1999
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328 Complete double photoionisation spectra of small molecules from TOF-PEPECO measurements Eland, John H.D
2003
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329 Complete dynamics of a two-level quantum system in interaction with a radiation field Zivi, H.S.
1985
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330 Complete valence-shell ionization spectra of N2 and CO: application of the extended two-particle-hole Tamm-Dancoff approximation (2ph-TDA) Schirmer, J.
1983
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331 Complex formation in proton—D2 collisions Gerlich, D.
1980
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332 Complex formation in proton-hydrogen collisions. II. Isotope effects Schlier, Christoph G.
1987
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333 Compressed CO adsorption layers on the (110) surfaces of Ni, Pd, and Pt. An inverse photoemission study of the unoccupied electronic band structure Bertel, E.
1993
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334 Compression of the dye monolayer at the air/water interface studied by second harmonic generation Tsukanova, Valeria
1999
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335 Computational studies in aqueous and chloroform solutions of complex organic solutes: distinctive effects of the solvent on solutes with small chemical differences Armelin, Elaine A
1999
1-10 2 p. 167-177
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336 Computational tests of the factorization of cross sections in the sudden approximation Top, Z.H.
1979
1-10 2 p. 265-270
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337 Computation of the vibrational modes of infinite two-dimensional ordered overlayers of adsorbed species Ippolitova, S.F.
1989
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338 Computation of vibrational stretching spectra of CH2X2 and CD2X2 molecules using the internal coordinate model Walllace, R.
1979
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339 Computer simulation of a lattice model of nematic liquid crystal Meirovitch, Hagai
1977
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340 Concerning the anisotropy of the polarizability tensor of pairs of methane molecules Proffitt, Michael H.
1979
1-10 2 p. 197-200
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341 Configuration interaction calculations of satellite structure in photoelectron spectra of H2O Arneberg, Reidar
1982
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342 Configuration interaction calculations of the vertical electronic spectrum of silane Chantranupong, Lek
1993
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343 Conformational analysis of 2-chloro-5,5-dimethyl-2-oxo-1,3,2-dioxaphosphorinane by molecular dynamics method. Vibrational dephasing and interaction-induced ir absorption Abramczyk, Halina
1988
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344 Conformational analysis of some ortho-hydroxyazoic dyes by the PCILO method Jacques, Patrice
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345 Conformational dependence of linear and nonlinear molecular optical properties by ab initio methods: the case of oligo-p-phenylenes Rumi, Mariacristina
1999
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346 Conformational preference of azaglycine-containing dipeptides studied by PCM and IPCM methods Lee, Ho-Jin
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347 Constrained molecular dynamics and the mean potential for an ion pair in a polar solvent Ciccotti, Giovanni
1989
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348 Contact and remote ion radicals formation and recombination Burshtein, A.I.
1999
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349 Convergence of the Hartree-Fock green matrix method Chen, R.S.
1988
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350 Cooperative effects in random sequential polymer reactions González, J.J.
1974
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351 Coordination effects on the stretching vibration of the OH− ion Hermansson, Kersti
1993
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352 Core-valence correlation effects on some Cu clusters Åkeby, Hans
1991
1-10 2 p. 197-206
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353 Correlation and the charge distribution of atoms Blomquist, J.
1987
1-10 2 p. 173-177
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354 Correlation between infrared spectra and magnetic and optical properties of potassium chloranil. Effects of phase transition and solvation processes Bozio, Renato
1977
1-10 2 p. 257-263
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355 Coupling of the overall molecular motion with the conformational transitions. II. The full rotational problem Moro, Giorgio
1987
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356 Coupling of the overall molecular motion with the conformational transitions. I. The model system of two coupled rotors Moro, Giorgio
1987
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357 C2O( X 3Σ−): absolute reaction rates measured by laser induced fluoresence Donnelly, V.M.
1980
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358 Crossed-beam chemiluminescence. 1. MF dissociation energies from reactions of metastable group IIA metals with fluorine Engelke, F.
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359 Crossed beam study of the reaction H+ 2 + D2 → D2H+ + H Hierl, P.M.
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360 Crossed-beám chemiluminescence. II. Kinetics and mechanisms for reactions of group IIA Metals in ground and metastable states with fluorine Engelke, F.
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1-10 2 p. 213-238
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361 Cross section for Ly-α emission by electron impact on methane Orient, O.J.
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362 Cross sections and rate constants for rotational excitation of NH3 colliding with H2(j = 0) and H2(j = 1) Billing, G.D.
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363 Crystal constraints and photochemical H-transfer in the acridine-fluorene mixed crystal Craig, D.P.
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364 CS+(B2Σ+−A2Πi) emission produced from dissociative charge-transfer reactions of He+ with CS2 and OCS at thermal energy Tsuji, M.
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365 CS(l av) and computational study of degeneracy averaged differerential cross sections and Δm-integral cross sections: Hez.sbndCO, HDz.sbnd Fitz, D.E.
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366 DABCO: an investigation of the vibrational structured of the S0 and S1 state through two-photon LIF measurements Consalvo, D.
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367 De-excitation rate constants of He(2 3S) by atoms and molecules as studied by the pulse radiolysis method Ueno, Takumi
1980
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368 Degenerate triplet spin exchange in liquid solution studied by pulse NMR Burri, Jürg
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369 Delayed-fluorescence ODMR and EPR studies of triplet excitons in charge-transfer molecular crystals Agostini, Giancarlo
1983
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370 Delayed predissociation and collision-induced processes of the ammonia di-cation NH3 2+ Boyd, R.K.
1985
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371 Density effects in collision induced light absorption of inert gas mixtures Hamer, Norman D.
1977
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372 Density functional studies of 1:1 and 1:2 sulfuric acid complexes with carbon monoxide Bienko, Agnieszka J
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373 Density functional study of the Xe2H3 + cation Lundell, Jan
1999
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374 Dependence of impurity zero-phonon band thermal broadening and shift on impurity site and vibron level in organic crystals Burke, Francis P.
1974
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375 Dependence of photochemical and photophysical hole burning on laser intensity Jalmukhambetov, A.U.
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376 Dependence of the yield of the short-lived ortho-Ps state on the concentration of CCl4 in hexane Hirade, T.
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377 Depolarization thermocurrents in frozen aqueous solutions of mono- and di-saccharides Daoukaki-Diamanti, D.
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378 Detailed product energy distributions for exothermic triatomic exchange reactions from a statistical dynamic model Venzl, G.
1978
1-10 2 p. 305-312
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379 Detection of the inverted region in the photo-induced intramolecular electron transfer of capped porphyrins Irvine, M.P.
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380 Detection of transient laser magnetic resonance signals in pulsed CO2 laser irradiation of SF6/H2O and SF6/NO mixtures Geiger, J.S.
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381 Detection of trimethylenemethane by IR spectroscopy:result of the photoisomerization of methylenecyclopropane in a halogen-doped xenon matrix 1 1 Small Rings, Part 84, For Part 83, see Ref. [1]. Maier, Günther
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382 Determination of D0 o(BaI) from the chemiluminescent reaction Ba + I2 Dickson, C.R.
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383 Determination of population, orientation and alignment of symmetric top molecule using laser-induced fluorescence Cong, Shu-Lin
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384 Determination of the distance-dependent electron transfer rate constant employing the kinetics of luminescence quenching in solids Krissinel, E.B.
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385 Determination of the frequency of excess electron trap to trap migration in saturated hydrocarbons by an OD ESR technique Smirnov, S.N.
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386 Determination of the radiative lifetimes of the b1Σ+ and a1Δ states in NH by ab initio methods Marian, Christel M.
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387 Deuterium separation and infrared photochemistry in CF2HCl Moser, J.
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388 Diabatic molecular states and the shielded diatomic orbital method. Evolution of two-interacting state systems for molecular hydrogen Aubert-Frecon, M.
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389 Diatomic molecules in a rare gas matrix; vibrational energy accumulation in CO isotopes imbedded in argon Blumen, A.
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390 Diatomics-in-molecules calculations of potential-energy surfaces for B+(3P) + H2(X 1Σg +) Schneider, F.
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391 Diatomics-in-molecules model for penning ionization in the He(2 1S)-H2 system Paidarová, I.
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392 Diatomics-in-molecules potential energy surfaces of (FHH)+ Schneider, F.
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393 Diatomics-in-molecules potential energy surfaces of (HeH2)+: An extended basis set calculation Schneider, F.
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394 Dielectric absorption in hydrocarbon polymers with non-polar additives Gilchrist, John le G.
1987
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395 Dielectric properties of 2-methoxyethanol and 1,2-dimethoxyethane: Comparison with ethylene glycol Viti, Vincenza
1973
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396 Dielectric theory of strained molecular crystals: Elasto-optic coefficients of orthorhombic sulphur Bounds, P.J.
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397 Differential cross sections for collisional neutralisation of H− by rare gases Van Der Leeuw, P.E.
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398 Differential cross sections from classical perturbation scattering theory. I. ion—dipole scattering Gislason, Eric A.
1977
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399 Differential scattering cross sections for collisions of alkali ions and atoms. II. Electronic excitation via rotational coupling in LiK+ and NaK+ Van Resandt, R.W.Wijnaendts
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400 Diffraction by holographic gratings in diacetylene crystals Bauer, H.-D.
1989
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401 Diffusion and structure of nickel chloride in aqueous solution Mills, R.
1977
1-10 2 p. 237-241
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402 Diffusion-controlled kinetics of systems containing a finite number of reacting particles Klochikhin, V.L.
1988
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403 Diffusion of vibrationally excited molecules Fujimoto, Gordon
1976
1-10 2 p. 217-225
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404 Diode laser kinetic measurements of vibrational rotational and translational temperatures of CO in CO2 laser-excited SF6 Sugawara, Ko-ichi
1989
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405 Dipole oscillator strength distributions, sums, and dispersion energy coefficients for CO and CO2 Jhanwar, B.L.
1982
1-10 2 p. 185-199
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406 Dirac—Fock one-centre calculations. VI. The tetrahedral and octahedral model systems CeH4, ThH4, CrH6, MoH6, WH6, UH6 and (106)H6 Pyykkö, P.
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407 Direct simulation of non-linear interparticle collisional relaxation of ensembles of two-level systems Longo, S.
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408 Direct solution of the Schrödinger equation for some muonic molecules Bian, Wensheng
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409 Dispersion and induction energy damping functions, and their scale with interspecies distance, for the interaction of H− with H, He and Li atoms Wheatley, Richard J.
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410 Dissociation in dilute mixtures of shock heated in O2 and HCl in Ar Ramakrishna, M.
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411 Dissociation of aliphatic hydrocarbons by controlled electron impact: Vibrational and rotational energy distributions of the excited CH radicals Tokeshi, Manabu
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412 Dissociation of cyclobutane, studied with HAM/3 Åsbrink, L.
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413 Dissociation of hydrogen molecules in collisions with light alkali ions. I. Na+-D2 Schöttler, J.
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414 Dissociation of OCS in liquid argon excited by an electron beam. Evidence of S(1S → 3P) and S2(B 3Σ− u → X 3Σ− g) emissions Abouaf-Marguin, L.
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415 Dissociation patterns in N2O following electron impact Allcock, G.
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416 Dissociative double electron capture, dynamics of fragmentation of the water and hydrogen sulfide negative ions Keough, T.
1976
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417 Dissociative excitation of acetylene by electron impact Beenakker, C.I.M.
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418 Dissociative excitation of lithium atoms in collisions of electrons with LiCl molecules Smirnov, Yurij M.
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419 Distorted-wave calculations for the three dimensional chemical reaction H + H2(v ⩽ 2, j = 0) → H2(v′ ⩽ 2, j′, m j ) + H Clary, D.C.
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1-10 2 p. 175-181
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420 Distorted wave calculations of vibrational excitation in CO2+He and CO2+Ar collisions Novak, M.M.
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421 2D Ligand ENDOR and TRIPLE resonance studies of Cu(II)-doped DTGS single crystals Bo¨ttcher, R.
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422 Donor-acceptor kinetics in the presence of energy migration. Forward and reverse energy transfer Sienicki, K.
1988
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423 Donor fluorescence decay in solid solution Twardowski, R.
1982
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424 Doppler profile measurements of Balmer-α-radiation by electron impact on H2 1977
1-10 2 p. 311-
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425 Double breakdown of Koopmans' theorem and strong correlation satellites in the He II photoelectron spectrum of O3 Kosugi, Nobuhiro
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426 Double charge transfer spectroscopy of NO2+ at vibrational resolution: application of Franck–Condon analyses to a dicationic system Furuhashi, Osamu
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427 Double hopf-bifurcation in plane quadratic mass-action systems Escher, C.
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428 Driven damped harmonic oscillators perturbed by the parity operator Blaise, P.
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429 DVM-Xα calculations on the electronic structure of the xenon fluorides XeF n : n = 2, 4, 6 Gutsev, G.L.
1981
1-10 2 p. 189-194
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430 DV-Xα Calculation on resonances in X-ray absorption spectra of SF6 Nakamatsu, Hirohide
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431 DWBA calculations of relaxation and kinetic cross sections. McCourt, F.R.
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432 DWBA evaluation of relaxation and kinetic theory cross sections Liu, Wing-Ki
1977
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433 Dynamical and statistical behaviour of O(3P) + OH(2Π) → H(2S) + O2(3∑− g) Nyman, Gunnar
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434 Dynamical studies of a helium plasma at vrious pulse repetition rates Wu, Dan T-c
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435 Dynamical study of the collinear C(3P) + HF(1Σ+)→CF(2Π) + H(2S) reaction Lucas, J.M.
1988
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436 Dynamic coordinate separation and state-dependent potentials. An analysis of localization in helium Mujica, Vladimiro
1987
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437 Dynamic instabilities in excited molecular crystals. Packing calculations in anthracenic systems Craig, D.P.
1982
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438 Dynamic polarizability of many-electron systems within a time-dependent density-functional theory Ghosh, S.K.
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439 Dynamics and scaling of polymer networks: Vicsek fractals and hydrodynamic interactions Jurjiu, A.
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440 Dynamics of camphor sulphonic acid: a quasielastic neutron scattering study Bée, M.
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441 Dynamics of CO formation in the photodissociation of HNCO and CH2CO at 193nm Fujimoto, G.T.
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442 Dynamics of energy transport in ternary molecular solids. II. Time evolution of naphthalene fluorescence Argyrakis, Panos
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443 Dynamics of formation of CN(B2Σ+) fragment from HCN and DCN in an argon afterglow Ozaki, Yasushi
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444 Dynamics of hydrogen adsorption on promoter-and inhibitor-modified nickel surfaces Resch, C.
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445 Dynamics of proton transfer reactions in polar solvent in the non-adiabatic two-state approximation: test calculations for carbon-carbon reaction centre Basilevsky, M.V.
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446 Dynamics of reactions of O(3P) atoms with CS, CS2 and OCS Hsu, D.S.Y.
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447 Dynamics of the reaction H2 +(He,H)HeH+. Influence of various forms of reactant energy on the total and differential cross section Zuhrt, Ch.
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448 Editorial board 2003
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449 (e, 2e) Momentum spectroscopic study of the valence orbitals of hydrogen selenide Subramaniam, C.K.
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450 Effective polarizability of a molecule physisorbed on a spherical metal particle: nonlocal effects Girard, C.
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451 Effective polarizability of two interacting adsorbed atoms Girard, C.
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452 Effect of solvent molecular structure on vibration—rotation spectra of DCl and CO solutes in cycloalkanes Richon, Dominique
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453 Effect of water-soluble electron scavengers on positronium formation in AOT/water/isooctane microemulsions Subrahmanyam, V.S.
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454 Effects of core correlation on atomic and dimeric phosphorus Pettersson, L.G.M.
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455 Effects of homogeneous and inhomogeneous broadening mechanisms and molecular rearrangement dynamics on frequency resolved and time resolved coherent Raman intensities Okamoto, Hiromi
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456 Effects on synchronized motion in elementary chemical processes Kuznetsov, Alexander M.
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457 Efficient methods for configuration interaction calculations Segal, Gerald A.
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458 Eigenvalues of the Boltzmann collision operator for binary gases: Mass dependence Shizgal, B.
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459 Electric and magnetic properties of carbon monoxide by molecular-beam electric-resonance spectroscopy Meerts, W.L.
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460 Electric dipole moment of IBr by the Stark shift of the perturbation allowed rotational transition J′ = 3 - J″ = 0 Tiemann, E.
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461 Electric dipole moments of (HC15N)2 and HC15NH35Cl Campbell, E.J.
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462 Electric field effects in the formation of NCO on Ru(001) with co-adsorbed oxygen Wang, R.L.C.
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463 Electron capture by tetra- and di-chlorobenzene molecules. Comparative studies by position annihilation and ODESR methods Anisimov, O.A.
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464 Electron correlation and solvation effects. I. Basic formulation and preliminary attempt to include the electron correlation in the quantum mechanical polarizable continuum model so as to study solvation phenomena del Valle, F.J.Olivares
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465 Electron correlation and solvation effects. II. The description of the vibrational properties of a water molecule in a dielectric given by the application of the polarizable continuum model with inclusion of correlation effects Aguilar, M.A.
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466 Electron correlation effects in the valence shell photoelectron spectra of haloethenes Potts, A.W.
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467 Electron correlation in weakly coupled binuclear transition metal compounds: Cyclopentadienyl-allyl-cyclobutadiene-dinickel Böhm, Michael C.
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468 Electron densities for the outer valence orbitals of pyridine: comparison of EMS measurements with near Hartree–Fock limit and density functional theory calculations Tixier, S.
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469 Electron-donor—acceptor orbital correlations. V. Cofacial 1:1 complexes of identical and different molecules of D2h symmetry Stevens, B.
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470 Electron emission in low-energy grazing collisions of CO+ ions with W(110) partially covered by cesium atoms Müller, H.
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471 Electron-hole pair versus phonon excitation in molecule-surface collisions Billing, Gert Due
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472 Electron hopping and magnetic field dependent spin dynamics of radical ions in solution Krüger, H.W.
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473 Electronically induced defect formation in Xe-doped solid Kr Savchenko, E.V.
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474 Electronic and structural chirality of prochiral centres in chiral molecules. A non-steric contribution in stereoselective reactions Schipper, Pieter E.
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475 Electronic autoionization in carbon monoxide: the effects of the vibrational motion Leyh, B.
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476 Electronic emission spectrum of p-fluorobenzaldehyde vapour Haque, M.K.
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477 Electronic energy transfer in an impurity band Godzik, Klaus
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478 Electronic excited states of bis(η 6-arene) tungsten: an investigation by ultraviolet photoabsorption spectroscopy in the vapour and solution phases Ketkov, S.Yu.
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479 Electronic processes in slow ion-surface collisions. Xe+ with clean and cesiated W(110) surfaces Niehaus, Arend
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480 Electronic properties by green's function calculations. Renormalized optical potential results: Ne, Ar, HF, H2O, NH3 Cacelli, Ivo
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481 Electronic properties of two isomeric charge transfer [2.2]paracyclophanes Schweitzer, D.
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482 Electronic spectra and photophysics of δ-carboline (5H-pyrido[3,2-b]indole) Balón, M
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483 Electronic spectra and proton transfer in the phenol/(NH3)n clusters in argon matrices Crépin, C.
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484 Electronic spectra of jet-cooled azulene Fujii, Masaaki
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485 Electronic states of the radical cations of the 1,3-dipoles: HCNO, CH2N2, and N3H, studied by photoelectron spectroscopy Bastide, Jean
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486 Electronic structure and chemical stabilization of C28 fullerene Makurin, Yu.N.
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487 Electronic structure and reduction processes in PtO x films Canart-Martin, M.C.
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488 Electronic structure calculations and dynamics of the chemisorption of methane on a Ni(111) surface Burghgraef, H.
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489 Electronic structure of donor-spacer-acceptor molecules of potential interest for molecular electronics. I. Donor-π-spacer-acceptor Broo, Anders
1993
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490 Electronic structure of donor-spacer-acceptor molecules of potential interest for molecular electronics. II. Donor-σ spacer-acceptor Broo, Anders
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491 Electronic to vibrational energy transfer and relaxation in matrices. I. Hg in N2 matrix Crépin, C.
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492 Electronic to vibrational energy transfer and relaxation in matrices. II. Hg in mixed N2/Kr matrices Crépin, C.
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493 Electronic transitions of vanadyl phthalocyanine in solution and in the solid state Huang, T.H.
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494 Electron impact direct dissociative-ionization cross sections from vibrationally excited H2 molecules and translational energy distribution functions of protons Celiberto, R.
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495 Electron-impact dissociation of O2: Kinetic energy and angular distributions of highly excited Rydberg atoms Ohshima, Shigeru
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496 Electron impact induced Balmer line emission from some aliphatic hydrocarbons Marendić, J.M.
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497 Electron localization in laser ionization of liquid water Lukin, L.V.
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498 Electron localization in the bis-arene complexes [(η-C6H6)2Cr] and [(η-C6H5Me)2Mo]: an investigation by photoelectron spectroscopy with variable photon energy Brennan, John G.
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499 Electron momentum density distribution in homonuclear diatomic molecules Rozendaal, A.
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500 Electron nuclear double resonance of the first excited triplet state of trans-stilbene in a diphenylacetylene-TCNB single crystal Maniero, Anna Lisa
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501 Electron pairing analysis of the Fischer-type chromium–carbene complexes (CO)5CrC(X)R (X=H, OH, OCH3, NH2, NHCH3 and R=H, CH3, CHCH2, Ph, CCH ) Poater, Jordi
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502 Electron paramagnetic resonance of triplet phenanthrene-d 10 and naphthalene-d 8 in single-crystal biphenyl from 5–80 K and characteriz Cullick, A.S.
1977
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503 Electron spin resonance investigation of biradical metal chelates in the slow tumbling region Pasimeni, Luigi
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504 Electron transfer in collisions of potassium atom with meta-fluoro-iodo-benzene Lobo, R.F.M.
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505 Emission cross sections from fragments produced by electron impact on silane Perrin, J.
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506 Emission cross sections of Hα and CH(A2Δ→X2Π) radiations for electron impact on hydrocarbons Möhlmann, G.R.
1977
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507 Emission spectra of supersonically cooled dimethyldiacetylene cations Klapstein, Dieter
1983
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508 Emission spectra of supersonically cooled methyldiacetylene cations Leutwyler, Samuel
1983
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509 Endor investigation of biphenyl and some of its methyl derivaties Christidis, T.C.
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510 ENDOR of the pyrene triplet state in the charge-transfer crystal naphthalene—tetracyanobenzene Corvaja, C.
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511 Energetics, molecular electronic structure, and spectroscopy of forming Group IIA dihalide complexes Devore, T.C
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512 Energetic states of positronium in liquids from the study of magnetic field effects and of spin conversion reactions Didierjean, F.
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513 Energy and rotational state dependence of radiationless processes in propynal Willmott, P.R.
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514 Energy-band structure for triplet excitons in space group c 5 2 h Ern, V.
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515 Energy distribution among reaction products. X. H + ICl → HCl + I, H + ClBr → HCl + Br, HBr + Cl Polanyi, J.C.
1977
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516 Energy distribution among reaction products. XII. F + HBr → HF(v′⩽ 4) + Br*(2P 3 2 , 2P 1 2 ) Brandt, D.
1979
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517 Energy gap equation of 1D polycondensed π-systems in the hubbard approximation 1993
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518 Energy gradient method for the ground, excited, ionized, and electron-attached states calculated by the SAC (symmetry-adapted cluster)/SAC–CI (configuration interaction) method Nakajima, Takahito
1999
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519 Energy levels of gaseous magnesium monoxide and the bond dissociation energy Evans, P.J.
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520 Energy randomization in the reactions of F atoms at the carboxyl sites of CH3COOH and CF3COOH Parsons, J.M.
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521 Energy relaxation in liquids and highly compressed gases Oksengorn, B.
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522 Energy transfer between finite-sized interacting molecules in a one-dimensional system Grabowska, J.
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523 Energy transfer from self-trapped excitons in NaCl to physisorbed C2H2 Dunn, S.Keith
1993
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524 Energy transfer in collisions of excited Ar(3P0.2) metastable atoms with H(2S) atoms. II. Lyman-α emission profile Clyne, Michael A.A.
1980
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525 Energy transfer in linear chain manganese salts: Emission spectra of CsMnBr3, RbMnBr3 and CsMnI3 crystals doped with Er3+ Talluto, Katherine F.
1984
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526 Energy transfer mechanisms in gas–carbon nanotube collisions Bolton, Kim
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527 Energy transfer processes and molecular degrees of freedom in the collision of SF6 molecules with the GaSe(001) surface Boschetti, A.
1992
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528 Energy transfer processes in reactions of He(23S) with triatomic molecules. II. H2O and H2S Yencha, Andrew J.
1978
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529 Enhanced raman scattering from benzoic acid on silver and gold prolate spheroids on large and transparent patterned areas Goudonnet, J.P
1986
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530 Environmental effects on the energetics and photo-induced dynamics of molecular states Schwentner, N.
1994
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12 p.
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531 EPR and saturation transfer EPR spectra at high microwave field intensities Robinson, Bruce H.
1979
1-10 2 p. 207-237
31 p.
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532 EPR studies on the high spin FeIII tetraphenylporphine with rhombic character, determination of zero-field splitting parameters from the middle kramers transition Sato, Mitsuo
1976
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533 Equation for the rate constant for dissociation of diatomic molecules in gases McCoy, B.J.
1977
1-10 2 p. 227-232
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534 Equilibrium structure and vibrational frequencies of the O4 molecule Adamantides, V.
1980
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535 Ergodic collision theory of intermolecular energy transfer. III. The deactivation of bromine in argon Freasier, B.C.
1978
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536 Ergodic collision theory of intermolecular energy transfer II. Quantum effects in the harmonic approximation Freasier, B.C.
1978
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537 Errata 1977
1-10 2 p. 287-
1 p.
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538 Errata 1977
1-10 2 p. 287-
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539 Erratum 1977
1-10 2 p. 320-
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540 Erratum 1976
1-10 2 p. 294-
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541 Erratum 1999
1-10 2 p. 349-
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542 Erratum 1997
1-10 2 p. 299-
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543 Erratum 1999
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544 Erratum 1986
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545 Erratum to “Equilibrium dimer concentrations in gases and gas mixtures” [Chem. Phys. 269 (2001) 189–241] Eerkens, J.W
2002
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546 Erratum to “He I photoelectron spectroscopy of formic acid isotopomers HCOOH and DCOOD” [Chem. Phys. 272 (2001) 77–90] Schwell, Martin
2002
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547 ESR analysis of the initial reaction products in the solid state photopolymerization of diacetylenes Bubeck, C.
1980
1-10 2 p. 269-275
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548 ESR of the low temperature photoproducts in a diacetylene single crystal Bubeck, C.
1978
1-10 2 p. 231-237
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549 ESR spectra and magnetic constant of α-Al2O3:Co2+ 1975
1-10 2 p. 321-
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550 ESR spectra, structure and photochemistry of carboxylic acid and ester anions: matrix isolation study Köppe, Ralf
1994
1-10 2 p. 401-413
13 p.
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551 Estimates of the electron charge densities at the iodine nucleus in some compounds Hartmann, E.
1981
1-10 2 p. 283-288
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552 Estimation of electronic correlation energies and binding energies for molecules composed of first-row atoms Rościszewski, K.
1991
1-10 2 p. 159-167
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553 Ethylene glycol: Infrared spectra, AB initio calculations, vibrational analysis and conformations of 5 matrix isolated isotopic modifications Frei, H.
1977
1-10 2 p. 271-298
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554 Ethylene oxide on Pt(110) 1×2. A multimethod investigation Weinelt, M.
1993
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555 Evaluation of an upper bound of the maximal lyapunov characteristic number by Monte Carlo integration in the chaotic regions of phase space Farantos, Stavros C.
1982
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556 Evaluation of luminescence decay measurements probed on pure and doped Pt(IV) hexahalogeno complexes I. Exponential rise time and decay curves applying various statistical tests Biertümpel, Ingo
1997
1-10 2 p. 271-284
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557 Even and odd moments: intrinsic properties of helical compounds Haije, W.G.
1987
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558 Evidence for Ps formation in spurs in high-density gaseous CO2 Curry, P.J.
1985
1-10 2 p. 313-320
8 p.
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559 Evidence for triplet CF2 formation in the O(3P) + C2F4 reaction Hsu, David S.Y.
1977
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560 Evolution of photoelectric signal in pTS diacetylene single crystals during solid-state polymerization Orczyk, M.
1988
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561 Exchange interactions in lanthanide binuclear compounds. The cubic isotropic case Lueken, Heiko
1990
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562 Exchange studies in a trigonal Cr3+ dimer system: the (4A2 × 2E) and (4A2 × 4A2) states in Rb3Cr2Br9 Dean, N.J.
1986
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563 Excitation and emission bands of hydrogen atoms in a solid neon matrix Böhmer, W.
1980
1-10 2 p. 225-230
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564 Excitation and emission spectra of the 2A″2 ↽ → 2E″1 system of the gas-phase cyclopentadienyl radical Nelson, H.H.
1983
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565 Excitation migration and transfer to interstitial traps — low dimensional transport and conformational motion Pálszegi, T.
1996
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566 Excitation of HgI(B), CdI(B), ZnI(B), PbI(B), CdBr(B), and ZnBr(B) by excitation-transfer reactions of N2(A) with the dihalide compounds Sadeghi, N.
1990
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567 Excitation transfer collisions of metastable Ar*, Kr* and Xe* atoms with N2 (X, ν = 0 ): collision energy dependence of excitation cross sections and product vibrational distribution of N2(C 3Πu, ν′ = 0, 1, 2, 3) Vredenbregt, E.J.D.

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568 Excited singlet states of pyrene. Polarization directions and magnetic circular dichroism of azapyrenes Thulstrup, Erik W.
1977
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569 Excited state decay of tetrahalomanganese(ii) complexes Wrighton, Mark
1974
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570 Excited-state double-proton transfer of pyrimidines mediated by hydrogen-bonded complexes El-Kemary, M.A.
2001
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571 Excited state dynamics and bimolecular quenching processes for NH2(Ã2A1) Donnelly, V.M.
1979
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572 Excited state proton transfer in 2-heteroaryloxazoles. The principle of least photochemical motion Druzhinin, S.I.
1987
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573 Excited states of gaseous ions. VI. Potential energy surfaces of CH+ 2 Galloy, C.
1978
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574 Excited states of hydrogen emitted from a graphite diffusion source: Arrhenius behaviour Wallin, Elisabeth
1992
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575 Exciton dynamics in molecular crystals from line shape analysis. The use of spectral moments and correlation functions Morris, G.C.
1973
1-10 2 p. 120-127
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576 Exciton transport in disordered crystals: velocity correlation functions Parson, R.
1984
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577 Exciton trapping at perturbed Mn2+ sites in Li+ doped crystals of RbMnCl3 and CsMnBr3 Kwawer, Gary N.
1988
1-10 2 p. 299-305
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578 Experimental and theoretical studies of simple attractive Penning ionization systemsag] Merz, A.

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579 Experimental and theoretical study on cation radicals of cyclopropane, cyclobutane and cyclopentane Ohta, K.
1983
1-10 2 p. 271-281
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580 Experimental determination of the electronic transition moment for the NO(A 2Σ+ - X 2Π) system lifetimes of the NO(A 2Σ+, υ Möhlmann, G.R.
1978
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581 Experimental determination of the range of interactions of dipole moments in a liquid Makosz, J.J.
1991
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582 Exponential gap relation and the rotational inelasticity of H2M systems Gayatri, C.
1980
1-10 2 p. 227-235
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583 Exponential perturbation theories for inelastic scattering Cross, R.J.
1980
1-10 2 p. 237-252
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584 Extension of the bebo method for the calculation of activation energies of intraradical 1,3-, 1,4- and 1,5-hydrogen shift reactions Šimon, P.
1987
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585 External heavy atom effect on radiative spin-forbidden transitions Strek, W.
1981
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586 Far infrared spectroscopic studies of the molecular dynamics and interactions of pyridine in organic solvents Zoidis, Evangelos
1996
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587 Far-infrared spectrum and structure of copper monocarbonyl isolated in solid argon Tremblay, Benoı̂t
1999
1-10 2 p. 235-240
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588 Femtosecond studies of electron tunneling at metal-dielectric interfaces (Chemical Physics 205 (1996) 191–203) Lingle Jr, R.L
1996
1-10 2 p. 297-298
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589 Fermi-coupled spherically adapted effective states in the collisionless multiphoton excitation of SF6 Di Lauro, C.
1982
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590 Fermi resonance and bandshapes in deuterated palmitic acid Piaggio, P.
1983
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591 Fine structure near the C-K edge in the photon W-value of methane Saito, Norio
1986
1-10 2 p. 327-333
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592 Finite element methods for reactive scattering Askar, Attila
1978
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593 Flexible polyelectrolyte in ionic solution: A Monte Carlo study Valleau, John P.
1989
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594 Fluorescence anisotropy of chromophores rotating between two reflecting barriers Wahl, Ph.
1975
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595 Fluorescence depolarization of solutions and ordered systems. Photochemical reactions in the excited states. I. General considerations Fisz, J.J.
1991
1-10 2 p. 207-229
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596 Fluorescence excitation of isolated, jet-cooled 3-hydroxyflavone: The rate of excited state intramolecular proton transfer from homogeneous linewidths Ernsting, Niko P.
1989
1-10 2 p. 181-186
6 p.
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597 Fluorescence of dissociating fragments from supersonic jet-electron collisions Blake, Thomas A.
1985
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598 Fluorescence of solid metal-free phthalocyanine Menzel, E.Roland
1978
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599 Fluorescence of UO2 2+ in a non-complexing medium: HClO4/NaClO4 up to 10 M Billard, Isabelle
2001
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600 Fluorescence quenching of flavin adenine dinucleotide in aqueous solution by pH dependent isomerisation and photo-induced electron transfer Islam, Shafiqul D.M.
2003
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601 Fluorescence spectra of fluorobenzene cations excited in a supersonic molecular beam Tuckett, R.P.
1981
1-10 2 p. 151-162
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602 Fluorescence spectroscopic investigations of rhodamine dye vapors Schmidt, J.
1989
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603 Fluorine and the fluoroderivatives of acetylene and diacetylene studied by 30.4 nm He(II) photoelectron spectroscopy Bieri, Gerhard
1980
1-10 2 p. 213-224
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604 Force-free and other models for the crystal structures of molecular chlorine and hexachlorobenzene Williams, Donald E.
1981
1-10 2 p. 163-167
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605 Formation of CCl (A 2Δ) by electron impact on CXCl3 (X=H, F, Cl, Br) Kusakabe, Masanobu
1993
1-10 2 p. 243-248
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606 Formation of Cr atoms in the 5 μm multiphoton decomposition of Cr(CO)6 Trushin, Sergei A.
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607 Form dichroism and the study of molecular shape Nordén, Bengt
1978
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608 Fourier transform emission spectra of the electronic transition A 2Σ+–X 2Π of N2O+ Fellows, Carlos E.
2001
1-10 2 p. 203-209
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609 Fractal approach to the kinetics of an encounter pair between asymmetric reagents Carmen Buján-Núñez, M.
1994
1-10 2 p. 211-220
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610 `Fractional heating' differential scanning calorimetry: a tool to study energetics and kinetics of solid-state reactions in photoactive systems with distributed parameters Sworakowski, Juliusz
1998
1-10 2 p. 343-351
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611 Franck—condon factors of the T1 ↷ S0 radiative and nonradiative transitions of naphthalene-h 8 and -d 8-a correlation function analysis Stanford, A.Leslie
1973
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612 Franck-Condon theory of reactive scattering Fung, K.Hang
1978
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613 Free energy of TIP4P water and the free energies of hydration of CH4 and Cl- from statistical perturbation theory Jorgensen, William L.
1989
1-10 2 p. 193-200
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614 FT IR study of matrix isolated mixed metal fluorides LiNaF2 and CaSrF4 Ramondo, F.
1988
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615 F.T.M. van en berg, J.H.M. Schoenmakers and H.C.W. Beijerinek. Ionisation of small molecules by state- selected Ne*(3Po, 3P2) metastable atoms in the 0.06 (E)6 eV energy range. 1988
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616 Fundamental relationships in the theory of electric multipole moments and multipole polarizabilities in static fields Applequist, Jon
1984
1-10 2 p. 279-290
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617 Gas-phase measurement of ΔH 0 between axial and equatorial conformations of 3-methylcyclopentanone Kim, Dongchan
2000
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618 Generalized coupled oscillator model for defect polymers. I. Calculation of frequency branches of n-paraffins, fatty acids and glymes Loghinov, A.P.
1979
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619 Generalized diffusion processes and light scattering from a moderately concentrated solution of spherical macroparticles Altenberger, A.R.
1976
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620 Generalized golden rule approach to the H-transfer problem. II. Application to a photochemical reaction Lavtchieva, L.
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621 Generalized susceptibility theory. V. The decorrelation approximation for the optical activity of helical polymers Rhodes, William
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622 Geometrical structures, force constants, and vibrational spectra of SiH, SiH2, SiH3, and SiH4 Allen, Wesley D.
1986
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623 Geometries, energies and polarities of cyanopolyynes Boyd, Russell J.
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624 Geometry and binding energy of ClF and ClF3 Scharf, Peter
1985
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625 Green function calculation of ionization energies of hypermetallic molecules Zakrzewski, Vyacheslav G.
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626 Ground and low-lying valence states of BN: A CI study Karna, Shashi P.
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627 Ground-state potential energy curves of phenylenevinylene oligomers Claudio, Gil C.
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628 Ground-state reduced density matrices, effective Hamiltonians, and optical properties of Schiff bases of retinal Su, Zhongmin
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629 Ground state reduced potential curves (RPC) of metal hydrides of the IIb group and of PtH Jenč, F.
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630 Group theoretical statistical mechanics of nematogenic and cholesteric liquid crystals Evans, M.W.
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631 Guided motion in a dissipative quantum system: vibrational state preparation using picosecond infrared pulses Malzahn, D.
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632 Hartree–Fock and DFT calculations of quadrupole coupling constants in water clusters and ice Alfredsson, Maria
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633 Hartree–Fock crystal orbital calculation on sodium-intercalated fullerites C60Na10 and C60Na11 Starikov, E.B.
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634 Heat capacities of solid ortho—para mixtures of deuterium in the ordered state White, David
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635 Heat capacity and entropy of an equilibrium liquid from T g to 0 K, and examining the conjectures of an underlying thermodynamic transition Johari, G.P
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636 He(I) Photoelectron spectroscopy of the gallium monohalides Grabandt, O.
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637 Heisenberg models of radical reactions: Local spin (magnetic) symmetry conservations of biradical species Yamaguchi, K.
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638 High electric field effects on the acrylonitrile molecule: An ab initio study Raynaud, Michèle
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639 Higher excited states of aromatic hydrocarbons: polarized VUV fluorescence-excitation spectra of anthracence and pyrene in argon matrices at 15 K using synchrotron radiation Gudipati, Murthy S.
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640 High frequency dielectric behaviour of critical binary solutions of benzonitrile-isooctane Hollecker, Michelle
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641 Highly excited triplet state dynamics of benzophenone studied by pump and probe time-resolved thermal lensing spectroscopy Takatori, Yoshiki
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642 High order correlation effects in intermolecular forces Riemenschneider, B.R.
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643 High-resolution HeI and HeII photoelectron spectra of the zinc and cadmium dihalide valence bands Bristow, D.J.
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644 High-resolution HeI and HeII photoelectron spectra of the Zn 3d and Cd 4d orbitals in the zinc and cadmium dihalides: Ligand field splittings and intensity variations Bancroft, G.M.
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645 High resolution laser excitation in the low pressure gas: quantum yields of naphthalene Howard, W.E.
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646 High-resolution laser-induced fluorescence and microwave-ultraviolet double resonance spectroscopy on 1-cyanonaphthalene Berden, Giel
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647 High-resolution laser-induced fluorescence study of a cage molecule, 1,4-diazabicyclo [2,2,2] octane, DABCO Consalvo, D.
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648 High-resolution UV photoelectron spectroscopy of diatomic halogens Van Lonkhuyzen, H.
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649 1H-14N and 1H-17O nuclear quadrupole resonance in thermochromic N-5-chlorosalicylideneaniline Seliger, J.
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650 Hole-burning spectra of tropolone–(CO2) n (n=1,2) van der Waals complexes and density functional study Iwahashi, Kunihiko
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651 Hole-mixing effects in the ionization of some unsaturated oxo-compounds Von Niessen, W.
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652 Hole pairing on oxygen sites in high-T c copper-oxide superconductors induced by an effective exchange interaction: A theoretical and numerical investigation on planar lattices Ferretti, Alessandro
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653 Hopping transport and energy transfer in substitutionally disordered media Sipp, B.
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654 Host/guest deuteration effects on mixed crystals Dzhagarov, B.
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655 How many uracil tautomers there are? Density functional studies of stability ordering of tautomers Tian, S.X.
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656 How reliable is the theoretical structure of SiC2? Sadlej, A.J.
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657 H. Paul, Kinetics and CIDEP of radicals during photoreduction of acetone with 2-propanol by effect modulated ESR spectroscopy 1979
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658 Hydrogen-bonded phenol–acid clusters studied by vibrational resolved laser spectroscopy and ab initio calculations Imhof, Petra
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659 Hydrogen-bonded phenol–acid clusters studied by vibrational resolved laser spectroscopy and ab initio calculations Imhof, Petra
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660 Hydroxonium ion formation in collisions of H2O+ + D2O and D2O+ + H2O: a crossed-beam scattering study Vančura, Jan
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661 Hydroxyl groups on oxide surfaces: NiO(100), NiO(111) and Cr2O3(111) Cappus, D.
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662 Hydroxyls in polyethylene and in alkanes. A low-temperature dielectric relaxation study Gilchrist, John le G.
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663 IFC 2003
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664 IFC 2003
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665 IFC, Editorial Board 2003
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666 Imaging of the HOMO electron density in Cr(CO)6, Mo(CO)6 and W(CO)6 by electron momentum spectroscopy: a comparison with Hartree-Fock and DFT calculations Rolke, J.
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667 Impact description of the poley absorption Abdrakhmanov, B.M.
1990
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668 Incremental binding free energies of aluminum (III) vs. magnesium (II) complexes Mercero, Jose M.
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669 Inelastic neutron scattering spectra of alkali metal (Na, K) bifluorides: The harmonic overtone of v 3 Waddington, Thomas C.
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670 Inelastic neutron scattering study of low frequency motions in [Co(C5H5)2 +] and [Cr(C6 H6 2 +] intercalated in the MnPS3 layered compound Sourisseau, C.
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671 Inelastic neutron scattering study of γ-MnO2: the dynamics of (H+)4 entities in Mn4+ vacancies Fillaux, F.
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672 Inelastic neutron scattering study of the proton dynamics in HNO3 graphite intercalation compounds Fillaux, F.
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673 Infinite order sudden approximation treatment of the H + D2 → HD + D reaction Zhang, Y.C.
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674 Influence of a liquid-liquid phase boundary on the energetics of a molecular solute Bonaccorsi, Rosanna
1990
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675 Influence of a magnetic field on delayed fluorescence of aromatic hydrocarbons in solution Spichtig, J.
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676 Influence of an aromatic substituent in position 2 on photophysical properties of benzoxazol-5-yl-alanine derivatives Guzow, Katarzyna
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677 Influence of chemical substitution on energy band structure of polyfluoroethylenes Delhalle, J.
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678 Influence of electron concentration and temperature on endohedral metallofullerene Me@C84 formation in a carbon plasma Fedorov, A.S
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679 Influence of hollow site adsorption in a model for the catalytic CO+O2 and CO+NO reaction Kortlüke, O.
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680 Influence of micellar interface on molecular ionization potentials: a tunable laser spectroscopy study of photoionization of pyrene Wallace, S.C.
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681 Influence of photoisomerization on saturated absorption of 3,3′-diethyloxadicarbocyanine iodide (DODCI) studied by diffraction from laser-induced, anharmonic thermal gratings Zhu, X.R.
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682 Influence of solvent polarity on intramolecular electron transfer. A consistency test of free energies of reaction and solvent reorganization with experimental rates Heitele, H.
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683 Influence of spur processes on positronium formation in some mixtures of organic liquids Jansen, P.
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684 Influence of the bleaching of trapped electrons on the kinetics of indole ring delayed fluorescence in rigid polar media Aubailly, M.
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685 Influence of the iodine internal energy on differential cross sections for ion-pair formation in Na, K, Cs+ I2 collisions Aten, J.A.
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686 Information content analysis for reaction of oreinted molecules Engel, Y.M.
1984
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687 Infrared absorption spectra of carbon monoxide in rare gas matrices Dubost, H.
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688 Infrared chemiluminescence in the reactions of atomic fluorine with ethanol, propanol-(2) and some deuterated analogs Dill, B.
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689 Infrared crystal spectra of heterocyclic compounds. II. IR spectrum of selenophene in the solid state Poletti, A.
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690 Infrared fluorescence and absorption studies of CN: spectra and relaxation in solid rare gases Wurfel, Brent E.
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691 Infrared laser kinetic spectroscopy of the formation of CN (ν=0–8) in a discharge Fehér, Miklós
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692 Infrared multiple photon excitation of sulfur hexafluoride in a molecular beam Bassi, D.
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693 Infrared photodissociation of hydrogen-bonded complexes trapped in inert matrices. The water-hydrogen iodide system Hannachi, Y.
1989
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694 Infrared spectrum and structure of an ammonia—carbon dioxide complex. A comparison between AB initio mo calculations and matrix isolation results Jönsson, B.
1977
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695 Inhibition of Ps formation in benzene and cyclohexane by CH3Cl and CH3Br. Correlation to radiation chemistry results Wikander, Göran
1983
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696 Inner and valence shell electronic excitation of dimethyl sulfoxide by electron energy loss and photoabsorption spectroscopies Sze, K.H.
1988
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697 Inner-shell electron energy loss spectra of NO2 at high resolution: Comparison with multichannel quantum defect calculations of dipole oscillator strengths and transition energies Zhang, W.
1990
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698 Inner-shell excitation of PF3, PCl3, PCl2CF3, OPF3 and SPF3 Neville, John J
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699 Integral, unified and Markovian theories of biexcitonic photoionization Krissinel, E.B.
1999
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700 Intensity and alignents of three-photon nonresonant transitions Lai, Shan-Tao
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701 Interaction forces and energy transfer dynamics of LiH(1gE+) and helium atoms II. Rotationally inelastic collisions and excitation efficiency Gianturco, F.A.
1997
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702 Interaction forces and energy transfer dynamics of LiH (1gE+) and helium atoms. I. The ab initio evaluation of the lowest potential energy surface Gianturco, F.A.
1997
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703 Interaction-induced contribution to changes in the infrared spectrum of hydrogen-bonded complexes Abramczyk, Halina
1987
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704 Interaction of a sodium ion with the water liquid-vapor interface Wilson, Michael A.
1989
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705 Interaction of CO with α-Cr2O3 surface: a FTIR and HRTEM study Scarano, Domenica
1993
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706 Interaction potentials for Li+—rare-gas systems Viehland, Larry A.
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707 Interaction potentials for the alkali ion—rare-gas systems Viehland, Larry A.
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708 Interaction potentials for the halide ion-rare gas systems Kirkpatrick, Charles C.
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709 Interaction potentials for the thallium ion-rare gas systems Kirkpatrick, Charles C.
1988
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710 Inter- and intra-molecular radiationless transitions of NO2 at around 454.6 nm Imasaka, Totaro
1980
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711 Intermolecular energy-transfer probabilities of strong colliders Herscovitz, O.
1982
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712 Intermolecular forces in simple systems Ahlrichs, R.
1977
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713 Intermolecular H-tunneling in a solid state photoreaction promoted by distinct low-energy nuclear fluctuation modes Prass, B.
1989
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714 Intermolecular potentials and the properties of liquid and solid hydrogen sulphide Forester, T.R.
1989
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715 Intermolecular state couplings in the presence of a radiation field. I. Non-resonant V-V transitions Xiang, Tian-Xiang
1990
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716 Intermolecular vibrational relaxation in liquids Van Woerkom, P.C.M.
1974
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717 Internal energy disposal in the chemiluminescent reaction CD + NO → ND(A) + CO and the kinetic isotope effect Nishiyama, Nobuaki
1987
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718 Internal heavy-atom effect on the T1 states of monochloroquinolines and monochloronaphthalenes Najbar, J.
1983
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719 Interplay between pair and bulk recombination. A stochastic approach to Waite's equation Naumann, Wolfgang
1990
1-10 2 p. 147-153
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720 Interpretation of the core electron excitation spectra of hydride molecules and the properties of hydride radicals Schwarz, W.H.E.
1975
1-10 2 p. 217-228
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721 Interpretation of the electronic spectra of substituted naphthalenes Schüürmann, Gerrit
1987
1-10 2 p. 241-249
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722 Interpretations of the Stark effect in molecular crystals Dunmur, D.A.
1975
1-10 2 p. 297-305
9 p.
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723 Intraconfigurational absorption spectroscopy of IrCl2− 6 and IrBr2− 6 in A2MX6-type host crystals Yoo, Ryong K.
1986
1-10 2 p. 317-326
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724 Intraconfigurational absorption spectroscopy of ReCl2− 6 in various A2MCl6 host crystals Yoo, R.K.
1987
1-10 2 p. 237-254
18 p.
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725 Intramolecular charge transfer and trans-cis isomerization of the DCM styrene dye in polar solvents. A CS INDO MRCI study Marguet, S.
1992
1-10 2 p. 265-279
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726 Intramolecular hydrogen bonding. IX. Theoretical geometries of substituted anthraquinones relevant to proton transfer studies Marasinghe, P.A.B.
1989
1-10 2 p. 249-257
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727 Intramolecular hydrogen bonding. X. Comparison of free jet and Shpol'skii matrix electronic spectra of 1,8-dihydroxyanthraquinone Gillispie, Gregory D.
1989
1-10 2 p. 259-269
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728 Intramolecular proton transfer and tunnel effects in the metastable triplet states of 2-(2′-hydroxyphenyl)benzoxazole studied by micro- and nanosecond laser flash photolysis Grellmann, K.H.
1989
1-10 2 p. 201-211
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729 Intramolecular proton transfer in various electronic states of o-hydroxybenzaldehyde Nagaoka, Shin-ichi
1989
1-10 2 p. 153-163
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730 Intramolecular relaxation of polystyrene in a theta solvent by photon-correlation spectroscopy Jones, Gwynne
1979
1-10 2 p. 187-194
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731 Intramolecular vibrational redistribution following optical excitation Tric, Catherine
1976
1-10 2 p. 189-212
24 p.
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732 Investigation of generalized overlap amplitudes via (e,2e) spectroscopy Williams, Geoffrey R.J.
1977
1-10 2 p. 281-287
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733 Investigation of the electronic structure of the TCNQ-TTF system. I. TCNQ and TTF monomers and dimers in the all-valence-electron approximation Ladik, J.
1975
1-10 2 p. 267-277
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734 Investigation of the excited triplet states of [2.2]- and [3.3]paracyclophane Melzer, G.
1979
1-10 2 p. 229-235
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735 Investigation of the gas phase infrared spectrum of HF complexed with dimethyl ether from both cell- and supersonic jet-FTIR experiments Asselin, P.
2000
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736 Investigation of the interaction between molecules at medium distances Otto, P.
1977
1-10 2 p. 209-216
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737 Investigations of the vibronic transitions in Cs2NaErCl6 Jeżowska-Trzebiatowska, B.
1980
1-10 2 p. 209-216
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738 Iodine geminate recombination: On the role of shallow and deep traps Dawes, Judith M.
1985
1-10 2 p. 315-326
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739 Ionic fragmentation of carbon 1s excited metallocenes Rühl, E.
1993
1-10 2 p. 243-257
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740 Ionic photofragmentation and photoionization of dimethyl ether in the VUV and soft X-ray regions (8.5–80 eV) – absolute oscillator strengths for molecular and dissociative photoionization Feng, Renfei
2001
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741 Ionization and fragmentation of aniline and other organic molecules in collision with halogen atoms in the electronvolt energy range Können, G.P.
1974
1-10 2 p. 205-216
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742 Ionization current detection of soft X-ray photoabsorption: Sulfur and chlorine k-shell spectra of SO2F2, SO2FCl and SO2Cl2 Hitchcock, A.P.
1988
1-10 2 p. 265-277
13 p.
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743 Ionization of Na(3P) atoms by collisions with vibrationally excited nitrogen molecules in crossed molecular beams De Jong, A.A.
1981
1-10 2 p. 243-254
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744 Ionization of N2O by low-energy electrons and near-thermal rare-gas ions Gérard, M.
1979
1-10 2 p. 247-257
11 p.
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745 Ion kinetic energy losses and excited state population in ion—molecule reactions Medved, M.
1976
1-10 2 p. 295-301
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746 Ion-molecule chemistry of C+ 2: Evidence for the production of excited state dicarbon cation O'Keefe, Anthony
1987
1-10 2 p. 327-338
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747 Irreducible tensor analysis of sum- and difference-frequency generation in partially oriented samples Dick, Bernhard
1985
1-10 2 p. 199-215
17 p.
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748 Is HeH− a stable system? Bendazzoli, Gian Luigi
1997
1-10 2 p. 217-225
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749 Isomerization and unimolecular rearrangement channels of dithioformic acid Tao, Yuanqi
1991
1-10 2 p. 221-225
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750 Isomerization dynamics in solution described by Kramers′ theory with a solvent-dependent activation energy Åkesson, Eva
1986
1-10 2 p. 269-280
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751 Isomer-specific radiative lifetimes of molecular heteroclusters Bahatt, Dar
1991
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752 Isometric groups and chirality of nonrigid molecules: a generalization of Kelvin's theorem Frei, H.
1976
1-10 2 p. 155-165
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753 Isotope effects in the auger electron spectra of HBr and DBr Wannberg, B.
1989
1-10 2 p. 281-289
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754 Isotope effects in the dissociation dynamics of energetic hydrogen scattered from Cu(111) under glancing angles of incidence Nesbitt, A.
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755 Isotope selective two-step photoionization study of K2 in a supersonic molecular beam Leutwyler, Samuel
1980
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756 Is there a correlation between phase transitions of phenylacetylene in liquids and frozen matrices and vibrational dynamics? Abramczyk, H
1999
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757 Is there a hydride transfer between N2OH+ and saturated hydrocarbons? Mestres, Jordi
1995
1-10 2 p. 99-110
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758 Jahn-teller distortions of SiH4 + and Si(CH3)4 + Kudo, Takako
1988
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759 Jahn-Teller effect in five-coordinated copper(II) complexes Bacci, M.
1986
1-10 2 p. 191-199
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760 Jet-cooled infrared spectra of the formic acid dimer by cavity ring-down spectroscopy: observation of the OH stretching region Ito, Fumiyuki
2002
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761 Kerr effect in the critical solutions of propionitrile Pyżuk, Wiesław
1980
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762 Kinematic effects in rotationally inelastic A + BC collisions Raghavan, K.
1987
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763 Kinematics and dynamical effects in the total and differential excitation functions. A variational transition state theory analysis Menéndez, M.
1988
1-10 2 p. 273-289
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764 Kinetic processes in non-equilibrium carbon monoxide discharges. II. Self-consistent electron energy distribution functions Gorse, C.
1984
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765 Kinetic processes in non-equilibrium carbon monoxide discharges. I. Vibrational kinetics and dissociation rates Gorse, C.
1984
1-10 2 p. 165-176
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766 Kinetics and mechanisms of CH radical reactions with fluoromethanes and carbon tetrachloride Zabarnick, S.
1988
1-10 2 p. 311-317
7 p.
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767 Kinetics of excitation and charge transfer reactions in non-polar media Brede, O.
1987
1-10 2 p. 279-296
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768 Kinetics of growth and decay of spectral holes in a tetracene-doped MTHF glass Elschner, A.
1988
1-10 2 p. 305-315
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769 Kinetics of small segment motion in macromolecules with applications to hindered motion in polyethylene Blomberg, Clas
1979
1-10 2 p. 219-227
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770 Kinetics of the hydrogen atom reactions with benzene, cyclohexadiene and cyclohexene: hydrogenation mechanism and ring cleavage Knutti, R.
1975
1-10 2 p. 229-243
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771 Kinetics of the reactions of isopropoxy radicals with NO, NO2, and O2 Balla, R.Jeffrey
1985
1-10 2 p. 323-335
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772 Kurtosis of level distributions in vibrational spectra. Bancewicz, Małgorzata
1999
1-10 2 p. 341-347
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773 Langevin simulation of picosecond-resolved electronic spectra solution Martire, Bruce
1981
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774 Large amplitude vibration in polyatomic molecules. I. A polar representation of orthogonal relative coordinates Wallace, R.
1984
1-10 2 p. 247-260
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775 Large amplitude vibration in polyatomic molecules. II. The nominally Stretching excitations of acetylene in terms of an orthogonal coordinate model embracing all internal modes of motion Wallace, R.
1985
1-10 2 p. 197-205
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776 Laser excitation and resolved emission spectra of supersonically cooled aluminum dimer Cai, M.F.
1991
1-10 2 p. 233-245
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777 Laser-excited fluorescence from s-tyriazine vapour: an analysis of vibronic coupling pathways Knight, Alan E.W.
1979
1-10 2 p. 257-270
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778 Laser excited fluorescence of the Π vibronic states of BO2 Weyer, K.G.
1980
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8 p.
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779 Laser flash photolysis: Quantum yield of O(1D) formation from ozone Arnold, I.
1977
1-10 2 p. 211-217
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780 Laser fluorescence studies of HF rotational relaxation Lang, N.C.
1977
1-10 2 p. 219-226
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781 Laser fragmentation of solids Billing, Gert Due
1987
1-10 2 p. 229-238
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782 Laser-induced flourescence of the R̄es B2 state of CS2 excited at 3547Å Vasudev, R.
1982
1-10 2 p. 167-173
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783 Laser-induced fluorescence detection of N+ 2(X 2Σ+ g) resulting from the He(23S) + N2 and He+, He+ 2 + N2 reactions in a flowing afterglow Sekiya, Hiroshi
1986
1-10 2 p. 291-298
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784 Laser induced fluorescence of jet-cooled non-conjugated bichromophores: bis-phenoxymethane and bis-2,6-dimethylphenoxymethane Zehnacker, A.
1996
1-10 2 p. 243-257
15 p.
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785 Laser-induced fluorescence of the P radical Clyne, Michael A.A.
1981
1-10 2 p. 145-150
6 p.
artikel
786 Laser-induced fluorescence of the reaction Ba + CCl4 → BaCl + CCl3 Schmidt, W.
1976
1-10 2 p. 161-173
13 p.
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787 Laser-induced-fluorescence study of A Na/Na2 free jet. III. Application of effective relaxation cross sections to off-axis dimer distributions Aerts, F.
1984
1-10 2 p. 307-312
6 p.
artikel
788 Laser-induced molecular orientation effects in vibrational resonance-Raman spectroscopy Andrews, David L.
1988
1-10 2 p. 169-181
13 p.
artikel
789 Laser-induced photodissociation of HD+ ions Van Asselt, N.P.F.B.
1975
1-10 2 p. 253-257
5 p.
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790 Laser induced photodissociation of Hn3 at 266 nm. II. Reactions of NH(1Δ) with HN3 HCl and hydrocarbon species McDonald, J.R.
1978
1-10 2 p. 133-145
13 p.
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791 Laser induced photodissociation of Hn3 at 266 nm. I. Primary products, photofragment energy distributions and reactions of intermediates Baronavski, A.P.
1978
1-10 2 p. 119-131
13 p.
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792 Laser-initiated processes within (SO2) m (NO) n weakly-bound clusters Lei, Yuxiu
2003
1-10 2 p. 131-136
6 p.
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793 Laser isotope separation and the multiphoton decomposition of methanol using a pulsed HF or DF laser McAlpine, Robert D.
1979
1-10 2 p. 263-270
8 p.
artikel
794 Laser schlieren study of vibrational relaxation of N2 by H2O Kurian, Job
1987
1-10 2 p. 295-303
9 p.
artikel
795 Lattice dynamics of the orthorhombic phase of KClO4: Ewald's method in molecular coordinates Signorini, Giorgio F.
1991
1-10 2 p. 245-261
17 p.
artikel
796 Length dependence of excitation energies in linear polyenes: Localized and delocalized descriptions Szabo, Attila
1976
1-10 2 p. 173-179
7 p.
artikel
797 Level magnetizabilities of the alkaline metal atoms Otto, P.
2002
1-10 2 p. 289-304
16 p.
artikel
798 Li-doped MgO as catalysts for oxidative coupling of methane: A positron annihilation study Dai, G.H.
1991
1-10 2 p. 275-284
10 p.
artikel
799 Lie algebraic approach to scattering of molecules from a solid surface Lin, Shenglu
1992
1-10 2 p. 163-172
10 p.
artikel
800 Lie algebraic description of the rotational spectra of linear triatomic molecules: application to CS2 Meng, Qingtian
2001
1-10 2 p. 113-123
11 p.
artikel
801 Lifetime of 1Δ-oxygen molecules in rare gas matrices Crone, K.P.
1985
1-10 2 p. 293-301
9 p.
artikel
802 Lifetimes of the A 1Π and low-lying triplet states of CO Le Floch, André
1990
1-10 2 p. 261-278
18 p.
artikel
803 Lifetimes of the vibrational HBr+(A2Σ+) states and emission cross sections for the corresponding (A2Σ+,υ′→ X2Π,υ″) Transitions Mohlmann, G.R.
1976
1-10 2 p. 147-154
8 p.
artikel
804 Lifetimes of the vibronic Ã2A1 states of H2O+ and of the 3Πi (υ′ = 0) state of OH+ Möhlmann, G.R.
1978
1-10 2 p. 273-280
8 p.
artikel
805 Lifetimes of triplet state alkylbenzenes in the vapor phase Holtzclaw, Karl W.
1981
1-10 2 p. 219-229
11 p.
artikel
806 Lifetime studies on the phosphorescence of the tetrahedral tetrahalomanganate ion in fused salts and solids Presser, N.
1978
1-10 2 p. 281-293
13 p.
artikel
807 Light emission from excited molecules sputtered from chemisorption layers on silicon Thomas, G.E.
1975
1-10 2 p. 303-309
7 p.
artikel
808 Limitations of the diatomics-in-molecules (DIM) method with neglect of overlap Last (Lyast), I.
1981
1-10 2 p. 237-244
8 p.
artikel
809 Line dependence of CIDEP polarizations for the p-benzosemiquinone, radical Muus, L.T.
1978
1-10 2 p. 163-168
6 p.
artikel
810 Localized molecular orbital studies in momentum space. I. compton profiles of 1s core electrons and hydrocarbons Smith Jr., Vedene H.
1974
1-10 2 p. 234-243
10 p.
artikel
811 Localized molecular orbital studies in momentum space. II. Correspondence between coordinate and momentum space properties of various electron pairs Whangbo, M.H.
1974
1-10 2 p. 282-290
9 p.
artikel
812 Local lattice structures, random spatial processes and molecular correlations in liquids Baer, S.
1979
1-10 2 p. 159-163
5 p.
artikel
813 Local normal modes and vibrational adiabatic potentials Agmon, Noam
1983
1-10 2 p. 203-218
16 p.
artikel
814 Location of energy barriers. VIII. Reagent → product energy conversion on surfaces with sudden or gradual late-barriers Polanyi, J.C.
1979
1-10 2 p. 259-264
6 p.
artikel
815 Location of energy barriers. VII. Sudden and gradual late-energy-barriers Polanyi, J.C.
1978
1-10 2 p. 287-303
17 p.
artikel
816 Long-range intermolecular potentials for the metastable rare gas-rare gas systems Ar*, Kr*(3P0,2)+Ar, Kr, Xe Kerstel, E.R.T.
1988
1-10 2 p. 211-235
25 p.
artikel
817 Loss of mirror symmetry in the electronic spectra of substituted benzenes Shyldkrot, H.
1981
1-10 2 p. 249-255
7 p.
artikel
818 Low energy electron impact on chlorofluoromethanes and CF4: Resonances, dissociative attachment and excitation Verhaart, G.J.
1978
1-10 2 p. 161-167
7 p.
artikel
819 Low frequency vibrations in crystalline biphenyl: Model calculations and raman and neutron spectra Takeuchi, H.
1981
1-10 2 p. 153-162
10 p.
artikel
820 Low symmetry ligand field splittings in optical spectra of pseudotetrahedral Co(II) complexes with halogenide and chalcogenide ligands Nover, Jörg N
1999
1-10 2 p. 179-191
13 p.
artikel
821 Low-temperature dielectric absorption of polypropylene containing light alkanes Gilchrist, John le G.
1986
1-10 2 p. 293-301
9 p.
artikel
822 Low temperature luminescence spectra of the d10s2 complexes Cs2MX6 (M = Se, Te and X = Cl, Br). The Jahn—Teller effect in the Γ− 4(3T1u) excited state Wernicke, Rainer
1980
1-10 2 p. 235-244
10 p.
artikel
823 Luminescence and intersystem crossing processes in camphoroquinone crystals Avouris, Phaedon
1977
1-10 2 p. 147-154
8 p.
artikel
824 Luminescence in near-thermal charge exchange. II. He+ + H2O and He+ + D2O Govers, T.R.
1976
1-10 2 p. 185-194
10 p.
artikel
825 Luminescence of nitrogen and neon atoms isolated in solid helium Boltnev, R.E.
1994
1-10 2 p. 367-382
16 p.
artikel
826 Magnetically perturbed, temperature-dependent and time-resolved aspects of the polarized luminescence of Ru(bpy)2+ 3 below 10 K Ferguson, James
1987
1-10 2 p. 271-283
13 p.
artikel
827 Magnetic and optical properties of the triplet states of para-methoxy- and para-thiomethoxyacetophenone Souto, Mark A.
1974
1-10 2 p. 193-204
12 p.
artikel
828 Magnetic circular dichroism of cyclic π-Electron systems. 24. Polarizations and assignments in some pentacyclic and hexacyclic benzenoid hydrocarbons Pedersen, Per Bo
1981
1-10 2 p. 187-198
12 p.
artikel
829 Magnetic circular dichroism of iodoform and methylene iodide Gedanken, Aharon
1979
1-10 2 p. 181-186
6 p.
artikel
830 Magnetic circular dichroism of matrix-isolated Mo atoms: spin-orbit coupling and Jahn-Teller activity Roser, Dennis
1993
1-10 2 p. 267-273
7 p.
artikel
831 Magnetic circular dichroism of the 3B3μ ← 1 Ag excitation in pyrazine Seamans, Lloyd
1976
1-10 2 p. 135-140
6 p.
artikel
832 Magnetic field dependence of rotationally resolved excitation spectra of the 1B3u O0 0 transition of jet-cooled pyrazine de Lange, Pieter J.
1991
1-10 2 p. 209-214
6 p.
artikel
833 Magnetic field effect on the recombination of the triplet radical ion pair state of the semirigid Zn-porphyrin-viologen dyad Levin, Peter P.
1990
1-10 2 p. 279-289
11 p.
artikel
834 Magnetic field effects in radical pair recombination. I. CIDNP and CIDEP in geminate recombination Shushin, A.I.
1990
1-10 2 p. 201-222
22 p.
artikel
835 Magnetic field effects in radical pair recombination. II. Spin exchange relaxation and CIDN(E)P in bulk recombination Shushin, A.I.
1990
1-10 2 p. 223-239
17 p.
artikel
836 Magnetic field effects on atomic and molecular collisions Fukuda, Yoshio
1987
1-10 2 p. 199-209
11 p.
artikel
837 Magnetic field effects on the luminescence of Cs[Au(CN)2] at low temperatures Lacasce Jr., J.H.
1987
1-10 2 p. 289-294
6 p.
artikel
838 Magnetic field modulation of geminate recombination of radical ions in a polar solvent Michel-Beyerle, M.E.
1976
1-10 2 p. 139-145
7 p.
artikel
839 Magnetic modulation of fluorescence from radical-ion pair recombination products generated by photoinduced electron transfer reactions in polar media Lavrik, N.L.
1988
1-10 2 p. 273-289
17 p.
artikel
840 Magnetization transfer in pulsed EPR of 15N nitroxides: Reorientational motion model of molecules in glassy liquids Dzuba, S.A.
1988
1-10 2 p. 291-298
8 p.
artikel
841 Manifestation of interaction of the transition dipole moments in IR spectra of low-temperature liquids and solutions in liquefied noble gases Kolomiitsova, T.D.
1998
1-10 2 p. 315-327
13 p.
artikel
842 Manifestations of adiabaticity and of strength of rotational inelastic collisions in time domain CARS spectra of nitrogen Burshtein, A.I.
1991
1-10 2 p. 231-235
5 p.
artikel
843 Mass analyzed threshold ionization spectroscopy of deuterium substituted N-methylaniline and N-ethylaniline cations: isotope effect on transition energy and large amplitude vibrations Lin, Jieli
2003
1-10 2 p. 97-107
11 p.
artikel
844 Mass spectrometric and theoretical study of the mixed complex NaCeCl4(g) Kapala, J.
1998
1-10 2 p. 221-229
9 p.
artikel
845 Master equation approach to vibrational energy transfer between two diatomic molecules Makowski, A.J.
1982
1-10 2 p. 231-237
7 p.
artikel
846 Matrix induced localization of proton tunneling in malonaldehyde Firth, Daniel W.
1989
1-10 2 p. 349-360
12 p.
artikel
847 Matrix-induced two-photon absorption in anthracene Bree, A.
1993
1-10 2 p. 185-192
8 p.
artikel
848 Matrix isolated HF: the high-resolution infrared spectrum of a cryogenically solvated hindered rotor Anderson, David T.
1994
1-10 2 p. 171-178
8 p.
artikel
849 Matrix isolation FTIR and ab initio study of complexes between formic acid and nitrogen Lundell, Jan
1994
1-10 2 p. 245-260
16 p.
artikel
850 Matrix isolation study of the interaction of excited argon atoms with methyl cyanide, vibrational and electronic spectra of ketenimine Jacox, Marilyn E.
1979
1-10 2 p. 157-172
16 p.
artikel
851 Matrix isolation study of the products of the interaction of electrons and metastable argon atoms with HCCl2F Jacox, Marilyn E.
1976
1-10 2 p. 195-208
14 p.
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852 Maximum overlap approximation calculations on polyatomic molecules Boča, Roman
1975
1-10 2 p. 229-236
8 p.
artikel
853 Maximum overlap approximation calculations on polyatomic molecules Miertuś, Stanislva
1975
1-10 2 p. 237-241
5 p.
artikel
854 MC SCF molecular gradients and hessians: Computational aspects Banerjee, Ajit
1984
1-10 2 p. 203-214
12 p.
artikel
855 Measurement of absorption cross sections in the long-wavelength region of the S0S1 absorption band of dyes Penzkofer, A.
1984
1-10 2 p. 309-313
5 p.
artikel
856 Measurement of the angular distribution and energy of ionic fragments from photodissociation of molecular ions Orth, R.
1977
1-10 2 p. 279-288
10 p.
artikel
857 Mechanism of spin delocalization and nature of the ground state in ferricenium cations Anderson, S.E.
1973
1-10 2 p. 216-225
10 p.
artikel
858 Mechanism of the reaction NH(1Δ)+NO→N2O+H in the gas phase Fueno, Takayuki
1988
1-10 2 p. 265-272
8 p.
artikel
859 Mediator centres and light-induced electron transfer in donor-acceptor systems Brickenstein, E.Kh.
1989
1-10 2 p. 209-217
9 p.
artikel
860 Memory effects on energy transport in substitutionally disordered molecular crystals Rips, Ilya
1985
1-10 2 p. 207-221
15 p.
artikel
861 Methods for calculating geometries of transition states in solution Madura, Jeffry D.
1989
1-10 2 p. 185-191
7 p.
artikel
862 Methyl torsion in C2H4-n (CH3) n , n = 1 or 2 Engeln, R.
1991
1-10 2 p. 215-222
8 p.
artikel
863 270 MHz multiple pulse study of the olefinic protons in potassium hydrogen maleate Achlama, A.M.
1978
1-10 2 p. 203-208
6 p.
artikel
864 Microwave spectrum, dipole moment and barrier to internal rotation of peroxyacetic acid Cugley, J.A.
1976
1-10 2 p. 229-235
7 p.
artikel
865 Microwave spectrum, dipole moment and barrier to internal rotation of trans-methyl glyoxal Dyllick-Brenzinger, C.E.
1978
1-10 2 p. 147-153
7 p.
artikel
866 Microwave transient nutation measurements of relaxation in OCS and NH3 Wang, J.H.-S.
1973
1-10 2 p. 141-148
8 p.
artikel
867 Mixed-crystal packing calculations. 9-methoxyanthracene in host 9-cyanoanthracene Craig, D.P.
1984
1-10 2 p. 187-197
11 p.
artikel
868 Model calculation of local versus hyperspherical mode selective dissociation of H2O Joseph, T.
1987
1-10 2 p. 223-230
8 p.
artikel
869 Modelling of Kr n + clusters (n=2–20). I. Structures and energetics Kalus, René
2003
1-10 2 p. 141-153
13 p.
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870 Model potential methods for the treatment of collisions between an excited rare gas and a ground state rare gas: Accuracy and limitations Kucal, H.

1-10 2 p. 163-172
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871 Model potentials and related diabatic states for the H++O2 collisional system Grimbert, D.
1988
1-10 2 p. 187-204
18 p.
artikel
872 Model potentials in numerical local density functional methods Gutsev, G.L.
1991
1-10 2 p. 291-302
12 p.
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873 Models for gas-phase coherent kinetics including correlations with flow quantities Longo, S.
2001
1-10 2 p. 211-220
10 p.
artikel
874 Models of nonadiabatic effects in the rotational structure of ammonia NH stretch overtones Ovchinnikova, M.Ya.
1988
1-10 2 p. 249-259
11 p.
artikel
875 Model studies on the time-resolved measurement of excited-state vibrational dynamics and vibronic coupling Stock, G.
1988
1-10 2 p. 227-238
12 p.
artikel
876 Moderately high resolution fluorecence spectrum of the S1 → S0 transition of azulene Friedman, Joel M.
1974
1-10 2 p. 145-154
10 p.
artikel
877 Molecular and applied modulation effects in electron—electron double resonance. III. Bloch equation analysis for inhomogeneous broadening Dalton, Lauraine A.
1974
1-10 2 p. 166-182
17 p.
artikel
878 Molecular-beam-laser studies of the states X1Σ+ and A0+ of PbS Kno¯ckel, H.
1985
1-10 2 p. 349-358
10 p.
artikel
879 Molecular dynamics of discontinuous Lennard-Jonesium and water Chapela, Gustavo A.
1989
1-10 2 p. 201-207
7 p.
artikel
880 Molecular dynamics simulation of double helix Z-DNA in solution Laaksonen, Aatto
1989
1-10 2 p. 175-183
9 p.
artikel
881 Molecular dynamics study of the primitive model of 1–3 electrolyte solutions Suh, S.-H.
1990
1-10 2 p. 203-211
9 p.
artikel
882 Molecular environment effects on polymerization rates in diepoxide–binary amines compositions by dielectric studies Johari, G.P.
1999
1-10 2 p. 283-291
9 p.
artikel
883 Molecular equilibria investigations in 3-acetylpyridine using non-linear dielectric effect and dipole moment measurements Nowak, Jadwiga
1985
1-10 2 p. 331-339
9 p.
artikel
884 Molecular interactions and reorientational motion of neat acetone in the liquid state. 17O NMR chemical shifts and linewidths at variable temperature Ancian, Bernard
1983
1-10 2 p. 171-177
7 p.
artikel
885 Molecular jet study and calculations of the vibronic structure of the aniline-benzene van der Waals complex Lahmani, F.
1988
1-10 2 p. 215-223
9 p.
artikel
886 Molecular kerr relaxation theory for nondipolar liquids in reorienting pulse fields Alexiewicz, W.
1987
1-10 2 p. 259-268
10 p.
artikel
887 Molecular motion of the morpholin-1-yl radical in CF2ClCFCl2 as studied by ESR. Use of residual anisotropy of powder spectra to extract dynamics Antzutkin, O.N.
1993
1-10 2 p. 195-205
11 p.
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888 Molecular motion studied by NMR powder spectra. II. Experimental results for solid P4 and solid Fe(CO)5 Spiess, H.W.
1974
1-10 2 p. 226-234
9 p.
artikel
889 Molecular motion studied by NMR powder spectra. I. Lineshape calculation for axially symmetric sheilding tensors Spiess, H.W.
1974
1-10 2 p. 217-225
9 p.
artikel
890 Molecular orbital caculations of the electronic structure and g-tensor for divalent paramagnetic iridium complexes Nogueira, S.R.
1992
1-10 2 p. 229-245
17 p.
artikel
891 Molecular orbital calculation of proton shielding tensors for the interpretation of solid state NMR data Sternberg, U.
1981
1-10 2 p. 275-282
8 p.
artikel
892 Molecular orbital expressions for approximate uncoupled Hartree-Fock second hyperpolarizabilities. A Pariser-Parr-Pople assessment for model polyacetylene chains Jacquemin, Denis
1995
1-10 2 p. 107-127
21 p.
artikel
893 Molecular orbital interpretation of the rhenium LIII absorption discontinuity in some compounds Pendharkar, A.V.
1975
1-10 2 p. 244-254
11 p.
artikel
894 Molecular orbital momentum distributions and binding energies for nitric oxide Brion, C.E.
1982
1-10 2 p. 287-297
11 p.
artikel
895 Molecular predissociation dynamics revealed through multiphoton ionisation spectroscopy. III. New 1A2 and 1B1 rydberg states in H2S D2S Ashfold, M.N.R.
1985
1-10 2 p. 289-313
25 p.
artikel
896 Molecular propane adsorption dynamics on Pt(111) McMaster, M.C.
1993
1-10 2 p. 461-472
12 p.
artikel
897 Molecular rydberg S ← S and T ← S transitions in water, ammonia, formaldehyde and n-alkanes Singh, A.N.
1980
1-10 2 p. 267-277
11 p.
artikel
898 Molecular simulation of a phase separation in a non-primitive electrolyte solution Degrève, Léo
2001
1-10 2 p. 193-205
13 p.
artikel
899 Molecular structure and spectroscopic properties of carbodiimide (HNCNH) nguyen, Minh Tho
1988
1-10 2 p. 305-315
11 p.
artikel
900 Molecular theory of solvent effect on cholesteric ordering in lyotropic polypeptide liquid crystals Osipov, M.A.
1985
1-10 2 p. 259-270
12 p.
artikel
901 Molecular theory of underdamped dielectric relaxation: understanding collective effects in dipolar liquids Bagchi, B.
1993
1-10 2 p. 133-141
9 p.
artikel
902 Molecular translation—rovibronic hamiltonian. II. Linear molecules Islampour, Reza
1983
1-10 2 p. 157-164
8 p.
artikel
903 Monte Carlo and mean field studies of a polyelectrolyte in salt solution Woodward, C.E.
1991
1-10 2 p. 207-219
13 p.
artikel
904 Monte Carlo calculations on unimolecular reactions, energy transfer, and IR-multiphoton decomposition Barker, John R.
1983
1-10 2 p. 301-318
18 p.
artikel
905 Monte Carlo simulation of CuCl2 in 18.6% aqueous ammonia solution Pranowo, Harno Dwi
2003
1-10 2 p. 153-159
7 p.
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906 Mo studies of polymers. I. Use of MNDO to calculate geometries, vibrational frequencies and the electronic band structures of polymers; formalism and application to polyethylene Dewar, M.J.S.
1979
1-10 2 p. 145-156
12 p.
artikel
907 MRD CI calculations on the asymmetric stretch potentials of H2O in the ground and the first seven singlet excited states Theodorakopoulos, Giannoula
1985
1-10 2 p. 217-225
9 p.
artikel
908 MRD CI study of the photodissociation of HO2 into OH(X2II) + O(3P, 1D) Vazquez, Gabriel J.
1985
1-10 2 p. 239-257
19 p.
artikel
909 M-shell Coster-Kronig electron spectra of germane Maracci, F.
1989
1-10 2 p. 291-295
5 p.
artikel
910 Mössbauer effect study on low-spin 1A1 ⇌ high spin 5T2 transition in [Fe(2-pic)3]Cl2 Sorai, M.
1977
1-10 2 p. 197-208
12 p.
artikel
911 Mössbauer lineshape studies on solid ammonium trisoxalatoferrate (III) Barb, D.
1979
1-10 2 p. 239-244
6 p.
artikel
912 Mössbauer study of pentammine and pyridine complexes of iridium Wagner, F.E.
1974
1-10 2 p. 284-288
5 p.
artikel
913 MS Xα and LCAO Xα calculations of ionization potentials. A comparison with Koopmans' theorem and accurate calculations De Alti, Giancarlo
1983
1-10 2 p. 185-193
9 p.
artikel
914 MSXα calculations of octahedral clusters in titanium and vanadium oxides Gubanov, V.A.
1975
1-10 2 p. 319-328
10 p.
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915 Multichannel quantization for molecular systems. III. Complex rotation of coordinates Atabek, O.
1981
1-10 2 p. 195-201
7 p.
artikel
916 Multiconfiguration coupled-cluster calculations for excited electronic states: Applications to model systems Banerjee, Ajit
1984
1-10 2 p. 215-221
7 p.
artikel
917 Multi-electrode dielectric spectroscopy Evans, M.W.
1990
1-10 2 p. 163-170
8 p.
artikel
918 Multimode effects in molecular spectra involving vibronically coupled excited states with application to pyrazine Heider, N.
1984
1-10 2 p. 209-220
12 p.
artikel
919 Multiphonon energy transfer in atom-surface scattering Meyer, H.-D.
1984
1-10 2 p. 189-200
12 p.
artikel
920 Multiphoton absorption spectra using thermal blooming Twarowski, A.J.
1977
1-10 2 p. 259-264
6 p.
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921 Multiphoton absorption spectra using thermal blooming Twarowski, A.J.
1977
1-10 2 p. 253-258
6 p.
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922 Multi-photon dissociation of CHBr3 at 248 and 193 nm: observation of the electronically excited CH( A 2 Δ ) product Lindner, Jörg
1998
1-10 2 p. 329-341
13 p.
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923 Multiphoton ionization and fragmentation study of acetone at XeCl excimer laser radiation Liu, Houxiang
1987
1-10 2 p. 285-287
3 p.
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924 Multi-photon ionization in the mass spectrometry of polyatomic molecules: Cross sections Boesl, U.
1981
1-10 2 p. 193-204
12 p.
artikel
925 Multiphoton ionization translational spectroscopy (MITS) of I2 De Vries, M.S.
1981
1-10 2 p. 157-165
9 p.
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926 Multiphoton-vacuum-ultraviolet laser photodissociation of acetylene: Emission from electronically excited fragments McDonald, J.R.
1978
1-10 2 p. 161-170
10 p.
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927 Multiple collisions in molecular beam scattering experiments Verster, N.F.
1981
1-10 2 p. 169-176
8 p.
artikel
928 Multiple quantum spectrum of oriented hexane-d 6 Drobny, G.
1986
1-10 2 p. 179-185
7 p.
artikel
929 Multiple scattering theory. III. Reactive scattering in first order Wong, Joseph K.C.
1979
1-10 2 p. 251-261
11 p.
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930 Multistep photoinduced proton transfer in crystalline 2-(2′,4′-dinitrobenzyl)pyridine Ziane, O
1999
1-10 2 p. 199-206
8 p.
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931 Multitrajectory semiclassical treatment of vibronic excitation and charge transfer in the fixed rotor approximation Florescu, A.
1994
1-10 2 p. 153-163
11 p.
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932 Muonium substituted organic free radicals in liquids. Theory and analysis of μSR spectra Roduner, Emil
1981
1-10 2 p. 261-276
16 p.
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933 Mutual influence of ligands in square complexes of transition and non-transition elements Nefedov, V.I.
1976
1-10 2 p. 255-260
6 p.
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934 Na2 b 3Πu-X1–g + intercombination bands: Direct observation through high resolution laser fluorescence spectroscopy in a supersonic nozzle beam Engelke, F.
1982
1-10 2 p. 221-229
9 p.
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935 Nanosecond laser measurements of optical absorption coefficients of electrons in polar fluids Hall, G.E.
1978
1-10 2 p. 313-322
10 p.
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936 23Na relaxation in DNA solutions. Influence of intercalation on correlation times and quadrupolar coupling constants Hald, Mogens
1992
1-10 2 p. 257-267
11 p.
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937 Negative ion formation in proton scattering from Ba/Ag(111) van Slooten, U.
1994
1-10 2 p. 227-240
14 p.
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938 Negative shake-up energy in core ionization Domcke, W.
1979
1-10 2 p. 149-157
9 p.
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939 Network of strongly interacting atoms in liquid argon Pálinkás, G.
1994
1-10 2 p. 173-178
6 p.
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940 Neutron diffraction and numerical modelling investigation of methane adsorption on bundles of carbon nanotubes Johnson, M.R.
2003
1-10 2 p. 217-230
14 p.
artikel
941 Neutron scattering study of the reorientational motions in Cr(CO)3(η6C6H6) and Mn(CO)3(η5C5H5) Lucazeau, G.
1983
1-10 2 p. 307-314
8 p.
artikel
942 New evidence for oriented interaction between normal alkanes and aromatic molecules from spectral solvent shifts Michel, Lamotte
1973
1-10 2 p. 245-248
4 p.
artikel
943 New fundamental concepts and results in thermodynamics 'namics with chemical applications Biot, M.A.
1977
1-10 2 p. 183-198
16 p.
artikel
944 New phenomena revealed by quantum chemical studies – the shellvation of GeH 3 + by H2 molecules Roszak, Szczepan
2000
1-10 2 p. 177-183
7 p.
artikel
945 New spectroscopic observations in electric discharges through carbon monoxide Cossart, Daniel
2002
1-10 2 p. 167-179
13 p.
artikel
946 New studies of non-photochemical holes of dyes and rare-earth ions in polymers. II. Laser-induced hole filling Fearey, B.L.
1986
1-10 2 p. 279-289
11 p.
artikel
947 New studies of non-photochemical holes of dyes and rare-earth ions in polymers. I. Spontaneous hole filling Fearey, B.L.
1986
1-10 2 p. 269-277
9 p.
artikel
948 New variations in two-electron integral evaluation in the context of direct SCF procedures Hamilton, Tracy P.
1991
1-10 2 p. 163-171
9 p.
artikel
949 n,π* Fluorescence from selected vibronic levels of pyrimidine-d 4 vapour: franck-condon factors, ground and excited state anharmonic coupling O'Brien, James J.
1987
1-10 2 p. 275-293
19 p.
artikel
950 NMR chemical shifts in the silver halides Becker, K.D.
1980
1-10 2 p. 193-201
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951 NMR study of environment modulated proton tautomerism in crystalline and amorphous phthalocyanine Wehrle, Bernd
1989
1-10 2 p. 223-247
25 p.
artikel
952 14N nuclear quadrupole coupling in cyclic amides and thioamides. Ab initio simulations of the solid state environment as interpretation of the NQR spectra of 2-pyridinone, isatin and benzothiazole-2-one. A new x-ray structure for isatin Palmer, Michael H.
1987
1-10 2 p. 219-227
9 p.
artikel
953 14N nuclear quadrupole coupling in imidazolium cations. Ab initio studies of urocanic acid, histidinium chloride and imidazolium hydrogen maleate, and comparison with experiment Palmer, Michael H.
1987
1-10 2 p. 207-218
12 p.
artikel
954 14N nuclear quadrupole coupling in solid cinnolin-4-ones. A study by nuclear quadrupole resonance, x-ray crystallography and ab initio calculations Palmer, Michael H.
1987
1-10 2 p. 213-225
13 p.
artikel
955 Non-adiabatic effects in the fragmentation of H2 at surfaces Gates, G.A.
1994
1-10 2 p. 199-213
15 p.
artikel
956 Non-condon scheme of radiationless transitions for the morse oscillator model Sobolewski, A.L.
1983
1-10 2 p. 265-278
14 p.
artikel
957 Non-empirical calculations on the rydberg states of ethylene Fischbach, Ursula
1974
1-10 2 p. 265-276
12 p.
artikel
958 Non-empirical study of the structure and stability of pentahalocarbonate anions CX− 5(X  F, Cl, Br). All-electron and valence-electron SCF calculations Vetter, R.
1986
1-10 2 p. 201-209
9 p.
artikel
959 Non-equilibrium effects on forward and reverse rate coefficients of reversible reactions in solutions: A stochastic approach Naumann, Wolfgang
1991
1-10 2 p. 187-196
10 p.
artikel
960 Nonequilibrium vibrational kinetics of carbon monoxide at high translational mode temperatures Flament, C.
1992
1-10 2 p. 241-262
22 p.
artikel
961 Non-hydrodynamic contribution to the concentration dependence of the self diffusion of interacting brownian macroparticles Phillies, George D.J.
1983
1-10 2 p. 197-203
7 p.
artikel
962 Non-perturbative theory of four-wave light scattering in strong fields Fracassi, Pier Francesco
1987
1-10 2 p. 169-186
18 p.
artikel
963 Nonradiative deactivation and triplet states in donor-aryl-acceptor compounds (dialkylaminobenzonitriles) Köhler, Gottfried
1993
1-10 2 p. 275-290
16 p.
artikel
964 Non-relativistic and relativistic calculations on some Zn, Cd and Hg complexes Strömberg, Dan
1989
1-10 2 p. 207-219
13 p.
artikel
965 Nonresonant charge transfer: Semiclassical calculation of differential cross sections Grosser, J.
1978
1-10 2 p. 187-199
13 p.
artikel
966 Nonstandard reaction kinetics: microscopic simulations of system with product removal Nowakowski, B.
2001
1-10 2 p. 287-292
6 p.
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967 NO2 radical spectroscopy: Vibrational frequencies, dipole moment, and the energy difference between the bent and linear stationary points on the ground state potential surface Xie, Yaoming
1989
1-10 2 p. 179-186
8 p.
artikel
968 Note on stochastic dynamics in a coulomb field Das, Amal K.
1981
1-10 2 p. 249-252
4 p.
artikel
969 n-Phenyls on transition and alkali metal surfaces: from benzene to hexaphenyl Ramsey, M.G.
1993
1-10 2 p. 349-361
13 p.
artikel
970 3nπ* spectra of benzaldehyde. I. Vapor phosphorescence Koyanagi, Motohiko
1979
1-10 2 p. 237-250
14 p.
artikel
971 Nuclear magnetic resonance study of transition metal—pyridine complexes in aqueous solutions Mignot, P.
1976
1-10 2 p. 261-267
7 p.
artikel
972 Nuclear quadrupole interaction of 99Mo(β−) 99Tc in various molybdenum sulfur cluster compounds and thermal decomposition products of (NH4)2 [Mo3S(S2)6]·nH2O (n=0–2) Mottner, P.
1992
1-10 2 p. 327-339
13 p.
artikel
973 Nuclear quadrupole moment of nitrogen from combined fully numerical and discrete basis-set calculations on NO+ and N2 Sundholm, Dage
1986
1-10 2 p. 219-225
7 p.
artikel
974 Nuclear quadrupole relaxation of atoms and ions in polar solvents Stiles, P.J.
1985
1-10 2 p. 217-228
12 p.
artikel
975 O atom photoproduction dynamics and reactions in cryogenic solids Ryan, E.Todd
1994
1-10 2 p. 293-305
13 p.
artikel
976 Observation and interpretation of the fluorescence excitation spectrum of hexafluorobiacetyl under free jet expansion Soulard, L.
1985
1-10 2 p. 293-298
6 p.
artikel
977 Observation of excited state species due to N+/N2 + and CH3HgX (X=Cl, Br, I) collisions Kushawaha, V.
1988
1-10 2 p. 183-192
10 p.
artikel
978 Observation of large third-order optical susceptibility in (BEDT-TTF)4Re6Se5Cl9 Sipp, B.
1990
1-10 2 p. 299-303
5 p.
artikel
979 Observation of photon cascade emission in the Pr3+-doped perovskite KMgF3 Sokólska, I
2001
1-10 2 p. 355-362
8 p.
artikel
980 Observation of the onset of the in-plane rotation of perinaphthyl (phenalenyl, perinaphthenyl) in the solid state by EPR and ENDOR Das, U.
1990
1-10 2 p. 253-257
5 p.
artikel
981 Observed adiabatic corrections to the born-oppenheimer approximation for diatomic molecules with ten valence electrons Tiemann, E.
1982
1-10 2 p. 133-138
6 p.
artikel
982 On a raman linewidth study of molecular motion in liquid benzene Neuman, M.N.
1976
1-10 2 p. 195-200
6 p.
artikel
983 On a semiclassical approach to energy transfer in polyatomic molecules Billing, Gert Due
1978
1-10 2 p. 227-247
21 p.
artikel
984 on μ-changes in atom-rigid-rotor collision poppe, D.
1984
1-10 2 p. 243-247
5 p.
artikel
985 One- and two-photon excitations of σ-conjugated chains Soos, Z.G.
1990
1-10 2 p. 199-207
9 p.
artikel
986 On low temperature fluorescence of perylene crystals Von Freydorf, E.
1978
1-10 2 p. 199-209
11 p.
artikel
987 On m-changes in atom-rigid-rotor collissions: influence of an initial rotation Poppe, D.
1985
1-10 2 p. 245-251
7 p.
artikel
988 On positronium formation in low-density gases: slowing down of positrons Jacobsen, Finn M.
1986
1-10 2 p. 259-267
9 p.
artikel
989 On self-consistent and stochastic treatments of V—T energy transfer in collinear atom-diatom collisions Schatz, George C.
1977
1-10 2 p. 263-286
24 p.
artikel
990 On static interaction in mixed molecular crystals Klimusheva, G.V.
1977
1-10 2 p. 251-255
5 p.
artikel
991 On the calculation of the macroscopic relaxation time from the Langevin equation for a dipole in a cavity in a dielectric medium Coffey, W.T.
1993
1-10 2 p. 165-172
8 p.
artikel
992 On the connection between the shift and width of the ν(AH) IR band in hydrogen bonded systems Sakun, V.P.
1980
1-10 2 p. 287-290
4 p.
artikel
993 On the core hole screening mechanism in adsorbates in the absence of low lying π acceptor orbitals Ohno, M.
1993
1-10 2 p. 173-183
11 p.
artikel
994 On the decay of highly excited oscillator in a crystal Makshantsev, B.I.
1979
1-10 2 p. 221-232
12 p.
artikel
995 On the density of states for two-level systems in amorphous solids Jankowiak, R.
1987
1-10 2 p. 223-231
9 p.
artikel
996 On the dependence of a critical supersaturation on pressure of a two-component background gas in a diffusion cloud chamber Itkin, Andrey L.
1998
1-10 2 p. 273-284
12 p.
artikel
997 On the diatomic-fragment data calculation for the diatomics-in-molecules method. Applications to NH2 and NH3 Polák, R.
1984
1-10 2 p. 273-282
10 p.
artikel
998 On the dielectric continuum solvent model for theoretical estimates of the conformational equilibrium of molecules with an intramolecular hydrogen bond Yasuda, Toshio
1998
1-10 2 p. 173-178
6 p.
artikel
999 On the diffusion mechanism of methane in a cation-free zeolite of type ZK4 Fritzsche, S.
1993
1-10 2 p. 229-236
8 p.
artikel
1000 On the direct calculation from the Langevin equation of the Kerr effect and higher-order nonlinear responses of an assembly of dipolar molecules Coffey, W.T.
1990
1-10 2 p. 171-183
13 p.
artikel
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