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nr titel auteur tijdschrift jaar jaarg. afl. pagina('s) type
1 Ab initio and density functional calculations of core excitation spectra of CO, H2CO and F2CO Fronzoni, G.
 1996
 1-10 3 p. 447-459
13 p.
 artikel
2 Ab initio and semi-empirical studies of electron transfer and spectra of binuclear complexes with organic bridges Broo, Anders
 1992
 1-10 3 p. 363-378
16 p.
 artikel
3 Ab initio calculation for inner reorganization energy of gas-phase electron transfer in organic molecule–ion systems Li, Xiang-Yuan
 2000
 1-10 3 p. 283-294
12 p.
 artikel
4 Ab initio calculation of nuclear spin—spin coupling constant of HF and CN− Rayez, M.T.
 1982
 1-10 3 p. 323-328
6 p.
 artikel
5 Ab initio calculation of the second virial coefficient of neon and the potential energy curve of Ne2 1992
 1-10 3 p. 527-
1 p.
 artikel
6 Ab initio calculation of the second virial coefficient of neon and the potential energy curve of Ne2 Eggenberger, Rolf
 1991
 1-10 3 p. 395-401
7 p.
 artikel
7 Ab initio calculation of the shear viscosity of neon in the liquid and hypercritical state over a wide pressure and temperature range Eggenberger, Rolf
 1992
 1-10 3 p. 321-329
9 p.
 artikel
8 AB initio calculation of vertical transition energies of the C2H2 molecule Kammer, W.E.
 1974
 1-10 3 p. 408-417
10 p.
 artikel
9 Ab initio calculations for (BrO)2 system and quasiclassical dynamics study of BrO self-reaction Papayannis, Demetrios
 1999
 1-10 3 p. 249-262
14 p.
 artikel
10 Ab initio calculations for dipole-forbidden transitions in NBr: Radiative lifetimes of the b 1Σ+ and a 1Δ states Bhanuprakash, K.
 1989
 1-10 3 p. 345-354
10 p.
 artikel
11 Ab initio calculations of molecular and electronic structure of disilane. II. Photoelectron and vacuum UV electronic spectra Gelizé, Michel
 1991
 1-10 3 p. 466-
1 p.
 artikel
12 Ab initio calculations of molecular and electronic structure of disilane. II. Photoelectron and vacuum UV electronic spectra Gelizé, Michel
 1991
 1-10 3 p. 333-339
7 p.
 artikel
13 Ab initio calculations of molecular and electronic structure of disilane. I. Molecular force field and vibrational spectrum Márquez, Antonio
 1991
 1-10 3 p. 311-318
8 p.
 artikel
14 Ab initio CI and experimental studies of contact charge-transfer absorption band for R2SO2 systems Cardy, H.
 1985
 1-10 3 p. 385-395
11 p.
 artikel
15 Ab initio CI calculation of nuclear quadrupole coupling constants of low-lying rovibrational levels in the X 1Σ+ state of CH+ Fišer, J.
 1993
 1-10 3 p. 319-324
6 p.
 artikel
16 Ab initio CI study of the electronic spectrum of bismuth iodide employing relativistic effective core potentials Alekseyev, Aleksey B.
 1995
 1-10 3 p. 333-344
12 p.
 artikel
17 Ab initio CI study of the laser radiation effect on pyrolysis of 1,2-dichloroethane Cardy, H.
 1993
 1-10 3 p. 305-315
11 p.
 artikel
18 Ab initio computation of the potential energy surfaces of the water·hydrocarbon complexes H2O·C2H2, H2O·C2H4 and H2O·CH4: minimum energy structures, vibrational frequencies and hydrogen bond energies Carme Rovira, M.
 1995
 1-10 3 p. 319-335
17 p.
 artikel
19 Ab initio configuration interaction calculations for five states of ArHe+ Liao, M.Z.
 1987
 1-10 3 p. 423-429
7 p.
 artikel
20 Ab initio configuration interaction study of the structure and magnetic properties of radicals and radical ions derived from group 13–15 trihydrides Carmichael, Ian
 1987
 1-10 3 p. 351-367
17 p.
 artikel
21 Ab initio determination of the rate coefficient for radiative association of He(1 S) + H + Juřek, M.
 1995
 1-10 3 p. 287-296
10 p.
 artikel
22 Ab initio/DFT theory and multichannel RRKM study on the mechanisms and kinetics for the CH3S+CO reaction Tang, Yi-Zhen
 2008
 1-10 3 p. 221-226
6 p.
 artikel
23 Ab initio ground and the first excited adiabatic and quasidiabatic potential energy surfaces of H+ +CO system George D.X., F.
 2010
 1-10 3 p. 211-218
8 p.
 artikel
24 Ab initio Hartree-Fock study of solid beryllium oxide: structure and electronic properties Lichanot, Albert
 1992
 1-10 3 p. 383-394
12 p.
 artikel
25 Ab initio investigation of O3 addition to double bonds of limonene Jiang, Lei
 2010
 1-10 3 p. 108-112
5 p.
 artikel
26 Ab initio MO calculations on stabilities and binding energies of bidentate ethylene diamine with ions (Na+, Li+, and H+) Ikuta, Shigeru
 1986
 1-10 3 p. 441-449
9 p.
 artikel
27 AB initio MO LCAO UHF calculations of magnetic hyperfine interactions in π-radicals. Isotropic and anisotropic couplings of ·CH3, ·NH3 +, ·C2H5 and ·N2H4 + Almlöf, Jan
 1975
 1-10 3 p. 465-472
8 p.
 artikel
28 Ab initio molecular calculations including spin-orbit coupling. II. Molecular test on the InH molecule and application to the g states of the Ar2 * excimer Teichteil, C.
 1983
 1-10 3 p. 283-296
14 p.
 artikel
29 Ab initio molecular calculations including spin-orbit coupling. I. Method and atomic tests Teichteil, Christian
 1983
 1-10 3 p. 273-282
10 p.
 artikel
30 Ab initio molecular treatment for single and double electron capture in the He2+ + He(1s2) collision Bacchus-Montabonel, M.C.
 1991
 1-10 3 p. 319-324
6 p.
 artikel
31 Ab initio molecular treatment for single and double electron capture in the He2+ + He (1s2) collision Bacchus-Montabonel, M.C.
 1991
 1-10 3 p. 467-
1 p.
 artikel
32 Ab initio MO–VB study of water dimer Famulari, A.
 1998
 1-10 3 p. 289-298
10 p.
 artikel
33 Ab initio MRD-CI study of ethane: The 14–25 eV PES region and Rydberg states of positive ions Richartz, Adolf
 1978
 1-10 3 p. 305-312
8 p.
 artikel
34 Ab initio MRD-CI study of GaAs-, GaAs2 (±), Ga2As2(±) and As4 clusters Meier, U.
 1991
 1-10 3 p. 331-351
21 p.
 artikel
35 Ab initio potential energy surface for HeF2 in its ground electronic state Lourderaj, U.
 2005
 1-10 3 p. 277-284
8 p.
 artikel
36 Ab initio quantum chemical studies of the electronic properties of the hydrogen bonded N2HF, N2HCl, (HCN)2 and NH3HCN complexes Cummins, Peter L.
 1987
 1-10 3 p. 325-337
13 p.
 artikel
37 Ab initio SCF study of OHO3− system and its relation to the structure of α-Al2O3:OHO3−(Me2+) Blum, H.
 1973
 1-10 3 p. 262-270
9 p.
 artikel
38 Ab initio structures and stabilities of HeTM3+ (TM=Sc–Cu) Wilson, David J.D
 2002
 1-10 3 p. 555-563
9 p.
 artikel
39 Ab initio studies of the structures and energies of methanediol and 1,1-ethenediol Rodler, M.
 1986
 1-10 3 p. 345-353
9 p.
 artikel
40 Ab initio studies of the structures and force fields of ketenimine and related molecules Brown, R.D.
 1985
 1-10 3 p. 347-356
10 p.
 artikel
41 Ab initio studies on hydrogen bonded chains. I. Equilibrium geometry of the infinite, linear chain of hydrogen fluoride molecules Karpfen, Alfred
 1980
 1-10 3 p. 401-406
6 p.
 artikel
42 AB initio studies on hydrogen bonded chains. II. Equilibrium geometry and vibrational spectra of the bent chain of hydrogen fluoride molecules Beyer, Anton
 1982
 1-10 3 p. 343-357
15 p.
 artikel
43 Ab initio studies on hydrogen-bonded chains. IV. Structure and stability of formic acid chains Karpfen, Alfred
 1984
 1-10 3 p. 415-423
9 p.
 artikel
44 Ab-initio study of a radiative association mechanism application to the CH3 + + H2 reaction Talbi, D
 1998
 1-10 3 p. 267-273
7 p.
 artikel
45 Ab initio study of 2,4-dihalosubstituted malonaldehyde and 2-halo-phenols in gas phase and solution Buemi, Giuseppe
 2002
 1-10 3 p. 241-256
16 p.
 artikel
46 Ab initio study of excited-state intramolecular proton dislocation in salicylic acid Sobolewski, Andrzej L.
 1998
 1-10 3 p. 257-265
9 p.
 artikel
47 Ab initio study of low-lying electronic states of the N+ 3 ion Cai, Z.-L.
 1992
 1-10 3 p. 377-381
5 p.
 artikel
48 Ab initio study of the infrared absorption bands and their intensities for ethylene-halogen and amine-halogen complexes Matsuzawa, Hidenori
 1992
 1-10 3 p. 297-305
9 p.
 artikel
49 Ab initio study of the isomerization HNC → HCN. I. Ab initio calculation of the HNC ⇌ HCN potential surface and the corresponding energy levels Perić, Miljenko
 1983
 1-10 3 p. 317-336
20 p.
 artikel
50 Ab initio study of the J(CC) indirect nuclear spin-spin coupling constants in cyclobutane and related systems Galasso, V.
 1987
 1-10 3 p. 415-420
6 p.
 artikel
51 Ab initio study of the oxides of rhenium and their anions Boehm, Randall C.
 1992
 1-10 3 p. 291-297
 artikel
52 Ab initio study of the potential energy surface of the lowest A1 symmetry excited state of H2S Flouquet, Françoise
 1976
 1-10 3 p. 257-263
7 p.
 artikel
53 Ab initio study of the spin—orbit splitting of the 3Pg ground state of the selenium atom Matsushita, Toshio
 1985
 1-10 3 p. 371-379
9 p.
 artikel
54 Ab initio study on cyanamide and isocyanamide Ichikawa, Kazuo
 1982
 1-10 3 p. 301-312
12 p.
 artikel
55 Ab initio study on electron excitation and electron transfer in tryptophan–tyrosine system Tong, Jing
 2002
 1-10 3 p. 543-554
12 p.
 artikel
56 Ab initio study on the isomers HNO+ and NOH+. vertical spectra and heat of formation Bruna, Pablo J.
 1979
 1-10 3 p. 425-444
20 p.
 artikel
57 Ab initio theoretical study of photoelectron and nmr properties of diazene, phosphazene, diphosphene, and diarsene Galasso, V.
 1984
 1-10 3 p. 407-413
7 p.
 artikel
58 Ab initio theory of the polarizability and polarizability derivatives in H2S Martin, Richard L.
 1979
 1-10 3 p. 341-348
8 p.
 artikel
59 Ab initio variational calculation of dynamic polarizabilities and hyperpolarizabilities Lembarki, A.
 1998
 1-10 3 p. 343-352
10 p.
 artikel
60 About the concentration dependence of the anisotropy in the magnetic susceptibility of some aromatic compounds in the liquid phase, studied by NMR Plantenga, T.M.
 1981
 1-10 3 p. 271-280
10 p.
 artikel
61 Absolute chemically induced nuclear polarizations and yields from geminate radical pair reactions. A test of high-field radical pair theories Vollenweider, Jean-Karl
 1988
 1-10 3 p. 333-345
13 p.
 artikel
62 Absolute complex formation cross sections for alkali—alkali halide collisions: a Monte Carlo trajectory study Holmlid, Leif
 1976
 1-10 3 p. 403-412
10 p.
 artikel
63 Absolute dipole differential oscillator strengths for inner shell spectra from high resolution electron energy loss studies of the freon molecules CF4, CF3Cl, CF2Cl2, CFCl3 and CCl4 Zhang, Wenzhu
 1992
 1-10 3 p. 435-450
16 p.
 artikel
64 Absolute dipole oscillator strengths for molecular and dissociative photoionization of COS (10–50 eV) and CS2 (10–40 eV) Carnovale, F.
 1982
 1-10 3 p. 249-259
11 p.
 artikel
65 Absolute dipole oscillator strengths for photoabsorption and the molecular and dissociative photoionization of ethylene Ibuki, Toshio
 1989
 1-10 3 p. 295-309
15 p.
 artikel
66 Absolute oscillator strengths (10–60 eV) for the photoabsorption, photoionisation and fragmentation of H20s Tan, K.H.
 1978
 1-10 3 p. 299-309
11 p.
 artikel
67 Absolute oscillator strengths for photoabsorption (6–360 eV) and ionic photofragmentation (10–80 eV) of methanol Burton, Gordon R.
 1992
 1-10 3 p. 349-367
 artikel
68 Absolute oscillator strengths for the partial photoionization, ionic fragmentation and photoabsorption of HCl Daviel, S.
 1984
 1-10 3 p. 391-406
16 p.
 artikel
69 Absolute oscillator strengths for the photoabsorption, ionic photofragmentation and photoionization of H2S (10–40 eV) Brion, C.E.
 1986
 1-10 3 p. 449-460
12 p.
 artikel
70 Absolute oscillator strengths for the photoabsorption, photoionization and ionic photofragmentation of silicon tetrafluoride. I. The valence shell Guo, Xuezhe
 1992
 1-10 3 p. 453-470
18 p.
 artikel
71 Absolute oscillator strengths for the photoabsorption, photoionization and ionic photofragmentation of silicon tetrafluride. II. The Si 2p and 2s inner shells Guo, Zuezhe
 1992
 1-10 3 p. 471-484
14 p.
 artikel
72 Absolute oscillator strengths for valence-shell ionic photofragmentations of N2O and CO2 (8–75 eV) Hitchcock, A.P.
 1980
 1-10 3 p. 461-478
18 p.
 artikel
73 Absolute photoabsorption cross-sections (oscillator strengths) for ethanol (5–200 eV) Feng, Renfei
 2002
 1-10 3 p. 419-427
9 p.
 artikel
74 Absolute photoabsorption (6–350 eV) and photoionization (11–80 eV) of methyl chloride using dipole electron scattering and synchrotron radiation spectroscopies Olney, Terry N
 1996
 1-10 3 p. 421-439
19 p.
 artikel
75 Absolute photoabsorption oscillator strengths by electron energy loss methods: the valence and S 2p and 2s inner shells of sulphur dioxide in the discrete and continuum regions (3.5–260 eV) Feng, Renfei
 1999
 1-10 3 p. 371-386
16 p.
 artikel
76 Absolute rate constants of R + NO (+ M) → RNO(+ M) reactions (R = C3F7, CF3, CH3) at T = 295 K measured by time-resolved intracavity absorption of He-Ne laser radiation Vakhtin, A.B.
 1991
 1-10 3 p. 427-436
10 p.
 artikel
77 Absorption and magnetic circular dichroism spectra of matrix isolated Ta atoms Kreglewski, Marek
 1981
 1-10 3 p. 381-389
9 p.
 artikel
78 Absorption and magnetic circular dichroism spectra of the compressed copper (II) ion in K2ZnF4 Riley, Mark J.
 1990
 1-10 3 p. 363-373
11 p.
 artikel
79 Absorption anisotropy of cubic or randomly oriented chromophores in anisotropic solvents. Dispersion induced linear dichroism (DILD) Schipper, Pieter E.
 1981
 1-10 3 p. 365-375
11 p.
 artikel
80 Absorption cross section measurements of water vapor in the wavelength region 120 nm to 188 nm (Chem. Phys. 211 (1996) 387–391) Yoshino, K.
 1997
 1-10 3 p. 429-430
2 p.
 artikel
81 Absorption, fluorescence and phosphorescence spectra of the singlet and triplet states of s-tetrazine in the crystal and in mixed crystals at low temperatures Hochstrasser, Robin M.
 1974
 1-10 3 p. 439-447
9 p.
 artikel
82 Absorption, phosphorescence and ODMR studies of 1-phenyl-1-boracyclohexane Bräuchle, Chr.
 1980
 1-10 3 p. 373-381
 artikel
83 Absorption spectra analysis of hydrated uranium(III) complex chlorides Karbowiak, M
 2000
 1-10 3 p. 301-315
15 p.
 artikel
84 Absorption spectra for a model double resonance system involving continuum: Effects of gaussian distribution of levels Ferretti, A.
 1985
 1-10 3 p. 421-429
9 p.
 artikel
85 Absorption spectra of a solvated electron in ethers Abramczyk, Halina
 1991
 1-10 3 p. 373-379
7 p.
 artikel
86 Absorption spectra of crystalline thiophthene Brillante, A.
 1976
 1-10 3 p. 297-307
11 p.
 artikel
87 Absorption spectrum of deuterated hydrazoic acid, D14N3 in the microwave and millimeterwave regiont Bendtsen, Jørgen
1-10 3 p. 359-365
 artikel
88 A candidate for an ion pair in the vapor phase: Proton transfer in complexes R3N - HX Brciz, A.
 1984
 1-10 3 p. 337-343
7 p.
 artikel
89 A CAS SCF CI study of the 1Σ+ g and 3IIu states of the C2 molecule and the 4Σ− g and 2IIu states of the C+ 2 ion Kraemer, Wolfgang P.
 1987
 1-10 3 p. 345-355
11 p.
 artikel
90 Accumulation of DODCI P isomers by laser excitation Bäumler, W.
 1990
 1-10 3 p. 431-443
13 p.
 artikel
91 Accurate ab initio spectroscopic properties of HOP x and HPO x (x=−1,0,+1) Francisco, Joseph S.
 2003
 1-10 3 p. 303-316
14 p.
 artikel
92 Accurate effective core potential for germanium. Application to the singlet-triplet splitting in GeH2 Pettersson, Lars G.M.
 1986
 1-10 3 p. 355-360
6 p.
 artikel
93 Accurate potential energy curves for the 3Σ+ u and b3Σ+ g states of Li2 Olson, Mark L.
 1977
 1-10 3 p. 393-399
7 p.
 artikel
94 Accurate universal Gaussian basis set for hydrogen through lanthanum generated with the generator coordinate Hartree-Fock method Jorge, F.E.
 1997
 1-10 3 p. 317-321
5 p.
 artikel
95 ac-Driven quantum decay Grossman, Frank
 1993
 1-10 3 p. 295-301
7 p.
 artikel
96 Acetic acid monomer: Ab initio study, barrier to proton tunnelling, and infrared assignment Meyer, R.
 1975
 1-10 3 p. 393-402
10 p.
 artikel
97 A classical algebraic approach to the bend motion of acetylene: the formalism by two coupled cosets Wu, Guozhen
 2000
 1-10 3 p. 315-321
7 p.
 artikel
98 A classical trajectory study of the fate of vibrational energy released in HF Poulsen, Lise Lotte
 1980
 1-10 3 p. 389-401
 artikel
99 A classical trajectory study of the O(3P)+I2 reaction Kosmas, A.M.
 1990
 1-10 3 p. 413-420
8 p.
 artikel
100 A close-coupling study of collision-induced dissociation: three-dimensional calculations for the He+H2→He+H+H reaction Takayanagi, Toshiyuki
 2002
 1-10 3 p. 313-323
11 p.
 artikel
101 A combination of pseudopotentials and density functionals: Results for Li n um+ and K n m+ clusters (n ≤ 4; m = 0, 1) Flad, J.
 1983
 1-10 3 p. 331-345
15 p.
 artikel
102 A combining rule calculation of the van der Waals potentials of the rare-gas hydrides Tang, K.T.
 1991
 1-10 3 p. 413-425
13 p.
 artikel
103 A compact model system for electron–phonon calculations in discotic materials Kruglova, Olga
 2006
 1-10 3 p. 360-364
5 p.
 artikel
104 A comparative study of large magnetic field effect on the radical pair generated by the photo-induced electron transfer from indoles to 2,4,6-triphenyl pyrylium tetrafluoroborate and its thia-analogue in aqueous SDS micellar medium Halder, Mintu
 2004
 1-10 3 p. 243-253
11 p.
 artikel
105 A comparative study of the two-photon absorption properties of new three-branched molecules – Sumanene and triphenylene derivatives Zhang, Xiang-Biao
 2006
 1-10 3 p. 269-278
10 p.
 artikel
106 A comparative study of the water-dimer gas-phase thermodynamics in the BJH- and MCYL-type flexible potentials Slanina, Zdeněk
 1991
 1-10 3 p. 321-329
9 p.
 artikel
107 A comparison of tunneling transfer theories for asymmetric isomerization reactions Cribb, Peter H.
 1982
 1-10 3 p. 259-266
8 p.
 artikel
108 A complete decoupling of Faddeev-like equations for three arrangement systems; applications to HH2 collision Knapp, E.W.
 1976
 1-10 3 p. 363-368
6 p.
 artikel
109 A computational investigation of the atmospheric reaction CH3O2 +ClO Kosmas, Agnie M.
 2009
 1-10 3 p. 230-234
5 p.
 artikel
110 A concept to explain the variation of the triplet zero-field splitting parameters with the structure of aromatic hydrocarbons in terms of local benzenoid characteristics Bräuchle, Chr.
 1980
 1-10 3 p. 369-385
17 p.
 artikel
111 A configuration interaction study of the oscillator strengths for various low-lying transitions of the CO molecule Chantranupong, Lek
 1992
 1-10 3 p. 351-362
12 p.
 artikel
112 A contribution to the theory of OD EPR of spin-correlated radical pairs Salikhov, K.M.
 1997
 1-10 3 p. 355-371
17 p.
 artikel
113 A correlation between Kekulē valence structures and conjugated circuits Gutman, Ivan
 1979
 1-10 3 p. 265-270
6 p.
 artikel
114 A crossed-beam study of low energy Ar+ + H2O collisions: Charge transfer and chemical reaction Glosík, J.
 1981
 1-10 3 p. 369-378
10 p.
 artikel
115 A crystal-dynamical approach to squaric acid Bougeard, D.
 1984
 1-10 3 p. 303-308
6 p.
 artikel
116 Activation energy of the dc conductivity in quasi one-dimensional molecular semiconductors. II. Two radical electrons per dimer Yartsev, V.M.
 1989
 1-10 3 p. 423-426
4 p.
 artikel
117 A density functional study of small (AlN) x clusters: structures, energies, and frequencies Chang, Ch.
 2001
 1-10 3 p. 283-292
10 p.
 artikel
118 A density functional study of weakly bound hydrogen bonded complexes Chandra, Asit K
 1998
 1-10 3 p. 299-306
8 p.
 artikel
119 A density matrix approach to double well transfer: effects of asymmetry on the tunneling rate Cribb, P.H.
 1979
 1-10 3 p. 315-335
21 p.
 artikel
120 Adiabatic switching in time-dependent Fourier grid Hamiltonian method: some test cases Adhikari, S.
 1996
 1-10 3 p. 315-324
10 p.
 artikel
121 A diode laser study and modeling of NO and NO2 formation in a pulsed DC air discharge Ionikh, Y.
 2006
 1-10 3 p. 411-422
12 p.
 artikel
122 A discussion of the bonding in ferrocene from an ab initio LCAO MO SCF calculation Rohmer, M.M.
 1975
 1-10 3 p. 349-355
7 p.
 artikel
123 Adsorption of molecules on polymers. I. A general analysis in terms of the green matrix version of the local-impurity SCF approach Del Re, G.
 1980
 1-10 3 p. 321-332
12 p.
 artikel
124 Adsorption of xenon on group VIII and ib metals studied by photoelectric work function measurements Nieuwenhuys, B.E.
 1974
 1-10 3 p. 418-428
11 p.
 artikel
125 Aerodynamical acceleration and rotational-vibrational temperatures in seeded supersonic molecular beams Kolodney, E.
 1983
 1-10 3 p. 269-283
15 p.
 artikel
126 A Floating Spherical Gaussian Orbital (FSGO) model for polymers: calculation of X-ray diffraction structure factors André, J.M.
 1977
 1-10 3 p. 367-370
4 p.
 artikel
127 A further test of the shape and anisotropy of the FH2 interaction potential Gianturco, F.A.
 1995
 1-10 3 p. 405-413
9 p.
 artikel
128 A gas phase ab initio excited state geometry optimization study of thymine, cytosine and uracil Shukla, M.K
 1999
 1-10 3 p. 319-329
11 p.
 artikel
129 Age distributions in chemical kinetics Vlad, Marcel O.
 1987
 1-10 3 p. 307-318
12 p.
 artikel
130 A geminal model for the electronic structures of extended systems Tokmachev, A.M.
 2006
 1-10 3 p. 423-432
10 p.
 artikel
131 A general purpose XUV laser spectrometer: some applications to N2, O2 and CO2 Softley, T.P.
 1987
 1-10 3 p. 299-309
11 p.
 artikel
132 A He (I) photoelectron spectroscopic study of MgF2 in the gas phase Dyke, John M.
 1994
 1-10 3 p. 355-362
8 p.
 artikel
133 A high energy classical trajectory study of the reactions O(3P) + H2 → OH + H and O(su(3)P)+H2→ O + H + H Alfassi, Zeev B.
 1981
 1-10 3 p. 275-282
8 p.
 artikel
134 A high pressure rate constant for CH 3 + H and an analysis of the kinetics of the CH 3 + H → CH 4 reaction Patrick, Roger
 1980
 1-10 3 p. 279-291
 artikel
135 A kinetic analysis of the primary charge separation in bacterial photosynthesis. Energy gaps and static heterogeneity Bixon, M.
 1995
 1-10 3 p. 389-404
16 p.
 artikel
136 A kinetic study of infrared multiple photon absorption in SF6 during a TEA CO2 laser pulse Lenzi, M.
 1990
 1-10 3 p. 463-472
10 p.
 artikel
137 A kinetic study of infrared multiple photon absorption in SF6-noble gas mixtures during a TEA CO2 laser pulse. Evaluation of V-T relaxation rates Lenzi, M.
 1990
 1-10 3 p. 473-484
12 p.
 artikel
138 Alanine chiral discrimination by interaction with amorphous cellulose Alvira, E.
 1990
 1-10 3 p. 395-403
9 p.
 artikel
139 A least squares multicenter approach to continuum wave functions Osinga, V.P
 2002
 1-10 3 p. 565-574
10 p.
 artikel
140 Algebraic symmetry and determination of the “imaginary” crystal field parameters from optical spectra of f n -ions. Hexagonal and trigonal symmetry Rudowicz, Czesław
 1986
 1-10 3 p. 437-443
7 p.
 artikel
141 Alignment effects on high resolution nmr spectra, induced by the magnetic field Lohman, J.A.B.
 1978
 1-10 3 p. 269-274
6 p.
 artikel
142 A magic-angle rotor for NMR using a forced gas bearing Balimann, Giovanni
 1980
 1-10 3 p. 469-475
7 p.
 artikel
143 A matrix partitioning approach to the calculation of intermolecular potentials. General theory and some examples Amovilli, Claudio
 1990
 1-10 3 p. 343-361
19 p.
 artikel
144 A memory-function approach to the angular correlation functions in anisotropic liquids Moro, Giorgio
 1979
 1-10 3 p. 303-306
4 p.
 artikel
145 A method for describing resonance between generalized valence bond wavefunctions Voter, Arthur F.
 1981
 1-10 3 p. 253-259
7 p.
 artikel
146 A microwave and ab initio structure determination of methyl chloroformate Groner, P.
 1990
 1-10 3 p. 381-394
14 p.
 artikel
147 A model calculation of redox potential sequence of systems with mutually interacting redox centers: M(bpy)(2-n)+ 3 systems Záliš, S.
 1987
 1-10 3 p. 313-323
11 p.
 artikel
148 A model description of charge carrier transport phenomena in organic molecular crystals. II. Perylene Silinsh, E.A.
 1991
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170 Analysis of anomalous vibrational and rotational distributions in the CN(B2Σ+) state produced in the reaction of Ar(3P0,2) metastables with BrCN Yencha, Andrew J.
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172 Analysis of infrared and microwave spectra of cyanamide and cyanamide-d2 by rotation—inversion theory Attansio, A.
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177 Analysis of the chemiluminescence from electronically excited lead oxide generated in a flow tube reactor Dorko, E.A.
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179 Analysis of the importance of the 3A2 NH+ 2 minimum in the ion—molecule reaction N+(3P)+H2→NH+ + H by the quasi-classical trajectory method using a plausible single surface model 1986
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180 Analysis of the infrared emission and absorption spectra from isotopic CO molecules in solid α-CO Legay-Sommaire, N.
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181 Analysis of the lattice energy of ice Lakin, W.
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183 Analysis of the ortho H2PARA H2 hyperfine dimer spectrum Waaijer, M.
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187 Analysis of torsional spectra of molecules with two internal C3v rotors. V. Durig, J.R.
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188 Analytical potential energy surface for methane in terms of interatomic forces Furue, Hiroshi
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189 Analytical representation for single vibronic level decay rates Pagitsas, Michael
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200 Anderson localization with correlated disorder Stephens, M.D.
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204 An efficient solution of weak-collision master equations in thermal unimolecular reaction rate theory Schranz, Harold W.
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205 An electrostatic-surface stability interpretation of the “hydrophobic” force inferred to occur between mica plates in solutions of soluble surfactants Podgornik, R.
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206 An error analysis for Hartree-Fock crystal orbital calculations Suhai, S.
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207 An evaluation of atomic and molecular mixture rules and group additivity concepts for the estimation of radiation absorption by long-chained, saturated hydrocarbons at vacuum UV and soft X-ray energies Au, Jennifer W.
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208 A new approach to angular momentum constraints in bimolecular reactions Rynefors, Kjell
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209 A new approach to intermolecular forces in non-bonding regions Taylor, H.S.
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210 A new approach to the determination of good action-angle variables for coupled oscillator systems Geiger, Lynn C.
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212 A new form of electric-field-dependent basis functions for the calculation of electric polarizabilities and dipole moments Hudis, J.A.
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214 A new method for assessing similarities among atoms in molecules Martı́, J.
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256 Anomalous populations in the Λ doublets of the c 1π state of NH Alberti, F.
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268 A parallel Born-von Karman study of diamond and the diamond type crystals Zdetsis, Astides D.
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269 A perturbational approach to the calculation of correlation functions describing short-time nuclear dynamics in molecules Pavlov-Verevkin, V.B.
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270 A photoelectron—photoion coincidence study of acetaldehyde and ethylene oxide molecular ions Johnson, Keith
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271 A Photoelectron spectroscopy study of the four outermost valence orbitals of formaldehyde Holland, D.M.P.
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272 Application of electron transmission spectroscopy to conformational studies: Electron affinities of methyl-substituted biphenyls Modelli, Alberto
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273 Application of molecular orbital theory to the interpretation of x-ray absorption spectra of platinum complexes Sarode, P.R.
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274 Application of the ab initio Hartree-Fock-Slater method to the calculation of molecular conformations: Ozone and thiozone Laidlaw, W.G.
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275 Application of the configuration interaction method for quantum-chemical calculations of solvation effects Basilevsky, M.V.
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276 Application of the “helium excitation standard” procedure to some hydrocarbon Hβ absolute emission cross section measurements Kurepa, J.M.
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277 Application of the reaction path method to the reaction: H+CH4→H2+CH3 Billing, Gert D.
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278 Applications of the basic polarizable continuum model. A study of the vibrational properties of diatomic solutes Del Valle, F.J.Olivares
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279 Applying the polarization model to selected ionic substances Turner, Paul
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280 Approximate methods for the fast computation of EPR and ST-EPR spectra. I. A perturbation approach Galloway, Norval B.
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 1-10 3 p. 427-439
13 p.
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305 A route to inversion for rotational collisions using hard shape potentials Belchior, J.C
 1996
 1-10 3 p. 401-406
6 p.
 artikel
306 A semiclassical model for the vibrational excitation of spherical-top molecules in collisions with ions Ellenbroek, Ton
 1982
 1-10 3 p. 309-343
35 p.
 artikel
307 A sensitivity analysis of a diatomics-in-molecules model of the 1A′ states of H2O Kuntz, P.J.
 1985
 1-10 3 p. 405-414
10 p.
 artikel
308 A shock tube study of vibrational relaxation in pure N2O, and mixtures of N2O with argon, helium-4, helium-3, deuterium hydrogen deuteride, normal and para-hydrogen Simpson, C.J.S.M.
 1982
 1-10 3 p. 293-302
10 p.
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309 A shock tube study of vibrational relaxation in SO2, SO2Ar and SO2He Kishore, V.V.N.
 1980
 1-10 3 p. 297-305
9 p.
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310 A simple demonstration of the origin of hund's rule for the helium 2S and 2P states Harcourt, R.D.
 1973
 1-10 3 p. 238-243
6 p.
 artikel
311 A simple model of photoinduced lattice instability Collins, Michael A.
 1981
 1-10 3 p. 305-321
17 p.
 artikel
312 A simple model of the charge transfer interaction between an impurity and the host molecular crystal Petelenz, P.
 1990
 1-10 3 p. 415-421
7 p.
 artikel
313 A spectroscopic and computational study of the singlet and triplet excited states of synthetic β-functionalized chlorins Brückner, Christian
 2003
 1-10 3 p. 285-303
19 p.
 artikel
314 A spectroscopic and photo-electrochemical investigation of xanthene dyes incorporated in Langmuir-Blodgett films Verschuere, B.
 1991
 1-10 3 p. 385-400
16 p.
 artikel
315 Assessment of Gaussian-weighted angular resolution functions in the comparison of quantum-mechanically calculated electron momentum distributions with experiment Duffy, Patrick
 1992
 1-10 3 p. 347-363
17 p.
 artikel
316 Assignment of the electronic states of pyrazole by ab initio multi-reference configuration interaction calculations Palmer, Michael H.
 2003
 1-10 3 p. 287-306
20 p.
 artikel
317 A statistical theory of the kinetics of bimolecular reactions in condensed media Bondarev, B.V.
 1987
 1-10 3 p. 321-347
27 p.
 artikel
318 A stochastic approach to their IR spectra of the symmetrical OHO hydrogen bond Romanowski, H.
 1977
 1-10 3 p. 361-370
10 p.
 artikel
319 A stochastic theory of collision phenomena: one-dimensional atom-diatom collision model Due Billing, Gert
 1978
 1-10 3 p. 427-443
17 p.
 artikel
320 A structural model for the assembly of the reaction centre and the B808-866 complex in the membranes of Chloroflexus aurantiacus based on the calculation of the triplet minus singlet spectrum of the primary donor Bordignon, Enrica
 2003
 1-10 3 p. 267-275
9 p.
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321 A study of carrier generation in β-metal-free phthalocyanine Popovic, Zoran D.
 1984
 1-10 3 p. 311-321
11 p.
 artikel
322 A study of ferric trisoxalate photochemistry in single crystals by electron paramagnetic resonance. An intermediate exchange-coupled ferrous bisoxalate-radical species Doetschman, David C.
 1989
 1-10 3 p. 285-294
10 p.
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323 A Study of picosecond dehalogenation of chlorobenzene anions in liquids by positronium inhibition measurements Wikander, Gǒran
 1982
 1-10 3 p. 407-423
17 p.
 artikel
324 A study of the absolute photoabsorption cross section and the photionization quantum efficiency of nitrogen from the ionization threshold to 485 Å Shaw, D.A.
 1992
 1-10 3 p. 379-391
13 p.
 artikel
325 A study of the absolute photoabsorption cross section and the photoionization quantum efficiency of nitrous oxide from the ionization threshold to 480 Å Shaw, D.A.
 1992
 1-10 3 p. 387-404
18 p.
 artikel
326 A study of the absolute photoabsorption, photoionisation and photodissociation cross sections and the photoionisation quantum efficiency of carbon dioxide from the ionisation threshold to 345 Å Shaw, D.A.
 1995
 1-10 3 p. 381-396
16 p.
 artikel
327 A study of the 1B2 excited state geometries of the metal-metal quadruply bonded compounds Mo2X4(PMe3)4 (X  Cl, Br or I) Svendsen, Christian
 1996
 1-10 3 p. 477-484
8 p.
 artikel
328 A study of the chemiionization reactions of Ca, Sr and Ba with O2(X 3Σ− g) Shaw, A.M.
 1994
 1-10 3 p. 455-462
8 p.
 artikel
329 A study of the hydration of aluminate minerals based on the measurements of the mean and the variance of the proton magnetic resonance relaxation rate Kudryavtsev, A.B.
 1997
 1-10 3 p. 419-427
9 p.
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330 A study of the S1 61 (1A″2) vibronically excited state of sym-triazine by high-resolution UV laser spectroscopy de Haag, Paul Uijt
 1991
 1-10 3 p. 371-383
13 p.
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331 A study of the tunneling frequencies of CH3D in various crystalline environments Smith, David
 1992
 1-10 3 p. 407-420
14 p.
 artikel
332 A study of the valence-shell photoabsorption, photodissociation and photoionisation cross-sections of allene Holland, D.M.P
 1999
 1-10 3 p. 333-339
7 p.
 artikel
333 Asymptotics of many-electron wavefunctions and calculation of tunnel transitions Ivanov, G.K.
 1993
 1-10 3 p. 303-313
11 p.
 artikel
334 A systematic experimental study of the v O—H…O and v O—D…O in bands of the H bonds of HCOOH and DCOOD crystals Zelsmann, H.R.
 1974
 1-10 3 p. 367-381
15 p.
 artikel
335 A systematic study of molecular vibrational anharmonicity and vibration-rotation interaction by self-consistent-field higher-derivative methods. Linear polyatomic molecules Allen, Wesley D.
 1990
 1-10 3 p. 427-466
40 p.
 artikel
336 A test of multiconfigurational coupled-cluster theory on Be(1S)+H2(X 1Σg +) → BeH2(1A1) Banerjee, Ajit
 1983
 1-10 3 p. 297-302
6 p.
 artikel
337 A theoretical analysis of the high-resolution SEPI Raman technique Collins, Michael A.
 1985
 1-10 3 p. 291-308
18 p.
 artikel
338 A theoretical analysis of the lowest excited states in HNO/NOH and HPO/POH Luna, Alberto
 1995
 1-10 3 p. 437-445
9 p.
 artikel
339 A theoretical analysis of three-wave mixing in an optically active medium Wagnière, G.
 1981
 1-10 3 p. 411-417
7 p.
 artikel
340 A theoretical and experimental study of the electric field and magnetic anisotropy effects on proton chemical shifts Ferraro, M.B.
 1987
 1-10 3 p. 325-332
8 p.
 artikel
341 A theoretical calculation of dissociation rates of molecular hydrogen in electrical discharges Capitelli, M.
 1977
 1-10 3 p. 417-429
13 p.
 artikel
342 A theoretical estimate for quasihomopolar singlet levels in long polyenes with a spin model hamiltonian Hashimoto, Katsufumi
 1983
 1-10 3 p. 253-261
9 p.
 artikel
343 A theoretical investigation of the CH2+ di-cation Wetmore, R.W.
 1984
 1-10 3 p. 329-336
8 p.
 artikel
344 A theoretical investigation of the complete valence ionization spectra of cyanamide, isocyanamide, diazirine and diazomethane Cambi, R.
 1984
 1-10 3 p. 389-406
18 p.
 artikel
345 A theoretical investigation of the electronic structure, hyperfine properties and binding energies of muonium centres in cuprous chloride Casarin, M.
 1992
 1-10 3 p. 365-375
11 p.
 artikel
346 A theoretical investigation of the hyperfine properties of normal and anomalous muonium in elemental semiconductors: Diamond, silicon and germanium Casarin, M.
 1991
 1-10 3 p. 385-393
9 p.
 artikel
347 A theoretical model of laser-control photodissociation of molecules Vallet, J.C.
 1994
 1-10 3 p. 657-676
20 p.
 artikel
348 A theoretical reinvestigation of the rotational and hyperfine lambda doubling spectra of diatomic molecules with a 2Π state: the spectrum of no Meerts, W.L.
 1976
 1-10 3 p. 421-425
5 p.
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349 A theoretical study of exothermic reactions Baer, M.
 1977
 1-10 3 p. 443-452
10 p.
 artikel
350 A theoretical study of spectroscopic properties and transition moments of HBr Chapman, Douglas A.
 1987
 1-10 3 p. 333-343
11 p.
 artikel
351 A theoretical study of the chemisorption of methane on a Ni(100) surface Swang, Ole
 1991
 1-10 3 p. 379-386
8 p.
 artikel
352 A theoretical study of the effect of charge recombination on the transfer and trapping of excitation energy in photosynthesis Källebring, Bruno
 1991
 1-10 3 p. 361-372
12 p.
 artikel
353 A theoretical study of the electronic spectrum of naphthalene Rubio, Mercedes
 1994
 1-10 3 p. 395-409
15 p.
 artikel
354 A theoretical study of the force field for carbon trioxide Francisco, J.S.
 1985
 1-10 3 p. 373-383
11 p.
 artikel
355 A theoretical study of the (H2)2 dimer. I. Bonding Røeggen, Inge
 1992
 1-10 3 p. 247-261
 artikel
356 A theoretical study of the (H2)2 dimer. III. The isotropic potential Wind, Peter
 1993
 1-10 3 p. 345-350
6 p.
 artikel
357 A theoretical study of the (H2)2 dimer. II. The potential energy surface Wind, P.
 1992
 1-10 3 p. 263-275
 artikel
358 A theoretical study of the isomerization pathways for HBrO2 isomers Guha, S.
 1999
 1-10 3 p. 387-394
8 p.
 artikel
359 A theoretical study of the oxygen K absorption edge in cluster models of sodalite Zygmunt, S.A.
 1993
 1-10 3 p. 357-366
10 p.
 artikel
360 A theoretical study of the pulsed Cl2 + HI chemical laser including nonequilibrium effects Baer, Michael
 1977
 1-10 3 p. 485-504
20 p.
 artikel
361 A theoretical study of the reaction H + HS → H2 + S Martin, Richard L.
 1983
 1-10 3 p. 337-341
5 p.
 artikel
362 A Theoretical study of the reaction of Mg(3s3p 3P) with H2 Adams, Noah
 1981
 1-10 3 p. 327-335
9 p.
 artikel
363 A theoretical study on the ionization of H2S with analysis of vibrational structure of the photoelectron spectra Takeshita, Kouichi
 1996
 1-10 3 p. 461-475
15 p.
 artikel
364 A theoretical study on the ionization of thiophene with analysis of vibrational structure of the photoelectron spectra Takeshita, Kouichi
 1994
 1-10 3 p. 489-498
10 p.
 artikel
365 A theoretical study on the photochemical reactions of 2,3-diazabicyclo[2.1.1]hex-2-ene Tanaka, Hidetsugu
 1984
 1-10 3 p. 399-410
12 p.
 artikel
366 A theoretical study on the structure and stability of the PCl n and PCl− n series, n=1–6 Gutsev, G.L.
 1994
 1-10 3 p. 325-339
15 p.
 artikel
367 A thermal bath induced new resonance on the linear and nonlinear spectra of a two-level system Gangopadhyay, Gautam
 1999
 1-10 3 p. 367-385
19 p.
 artikel
368 A time-dependent quantal analysis of vibronic excitation via charge transfer in ion-molecule collisions Spalburg, M.R.
 1985
 1-10 3 p. 327-338
12 p.
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369 A time-dependent wave packet study of the H4 four-center reaction Lu, Yunpeng
 2005
 1-10 3 p. 217-224
8 p.
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370 A time domain photoacoustic study of the collisional relaxation of vibrationally excited H2 Kreutz, Thomas G.
 1988
 1-10 3 p. 359-369
11 p.
 artikel
371 Atomic force microscopy characterization of stable faces in cubic C60 and hexagonal C60, 2CCl4 single crystals Keita, Bineta
 1994
 1-10 3 p. 595-605
11 p.
 artikel
372 Atomic potassium photodissociation lasers from 1 to 4 μm Clark, B.K.
 1993
 1-10 3 p. 327-333
7 p.
 artikel
373 Atomistic simulation of Si–Ge clathrate alloys Wang, Hanfu
 2008
 1-10 3 p. 299-308
10 p.
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374 Atom-molecule scattering with the average wavefunction method Singh, Harjinder
 1987
 1-10 3 p. 339-348
10 p.
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375 Atom—molecule sudden theory of scattering: AB Initio corrections and range of validity of the collision model Varracchio, E.Ficocelli
 1982
 1-10 3 p. 303-316
14 p.
 artikel
376 A topological study of bonding in the Al2H2 and Al2H4 hydrides Chesnut, D.B.
 2006
 1-10 3 p. 269-276
8 p.
 artikel
377 Auger spectra of linear alkynes and alkenes. Experiment and theory Liegener, Christoph
 1994
 1-10 3 p. 313-323
11 p.
 artikel
378 A unified approach to the perturbed morse oscillator and Simons-Parr-Finlan diatomic potential functions Cooper, Ian L.
 1988
 1-10 3 p. 343-350
8 p.
 artikel
379 Author index 1975
 1-10 3 p. 475-478
4 p.
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380 Author index 1979
 1-10 3 p. 447-450
4 p.
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381 Author index 1978
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4 p.
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382 Author index 1978
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5 p.
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383 Author index 1977
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4 p.
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384 Author index 2003
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5 p.
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385 Author index 2003
 1-10 3 p. 399-402
4 p.
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386 Author index 2003
 1-10 3 p. 509-514
6 p.
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387 Author index 2003
 1-10 3 p. 307-309
3 p.
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388 Author index 2002
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4 p.
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389 Author index 2002
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5 p.
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390 Author Index 2002
 1-10 3 p. 331-333
3 p.
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391 Author index 2002
 1-10 3 p. 335-337
3 p.
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392 Author Index 2001
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4 p.
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393 Author Index 2001
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5 p.
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394 Author index 2001
 1-10 3 p. 357-360
4 p.
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395 Author Index 2002
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5 p.
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396 Author index 2003
 1-10 3 p. 297-299
3 p.
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397 Author index 2002
 1-10 3 p. 465-469
5 p.
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398 Author index 2005
 1-10 3 p. 335-338
4 p.
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399 Author index 2004
 1-10 3 p. 321-323
3 p.
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400 Author index 2004
 1-10 3 p. 335-338
4 p.
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401 Author Index 2001
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5 p.
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402 Author index 1981
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4 p.
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403 Author index 1982
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4 p.
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404 Author index 1981
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4 p.
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405 Author index
1-10 3 p. 481-484
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406 Author index of volume 3 1974
 1-10 3 p. 490-493
4 p.
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407 Author index to volume 20 1977
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4 p.
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408 Author index to volume 42 1979
 1-10 3 p. 475-478
4 p.
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409 Author index to volume 9 1975
 1-10 3 p. 481-484
4 p.
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410 Author index to volume 38 1979
 1-10 3 p. 421-423
3 p.
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411 Author index to volume 52 1980
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5 p.
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412 Author index to volume 48 1980
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4 p.
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413 Author index to volume 30 1978
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3 p.
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414 Author index to volume 46 1980
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5 p.
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415 Author index to volume 37 1979
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4 p.
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416 Author index to volume 35 1978
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4 p.
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417 Author index to volume 25 1977
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4 p.
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418 Author index to volume 47 1980
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4 p.
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419 Author index to volume 29 1978
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4 p.
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420 Author Index to Volume 4 1974
 1-10 3 p. 492-495
4 p.
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421 Author index to volume 19 1977
 1-10 3 p. 473-476
4 p.
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422 Author index to volume 50 1980
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4 p.
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423 Author index to volume 45 1980
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4 p.
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424 Author index to volume 22 1977
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4 p.
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425 Author index to volume 6 1974
 1-10 3 p. 484-487
4 p.
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426 Author index to volume 39 1979
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4 p.
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427 Author index to volume 31 1978
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4 p.
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428 Author index to volume 5 1974
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4 p.
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429 Author index to volume 21 1977
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4 p.
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430 Author index to volume 34 1978
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431 Author index to volume 7 1975
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432 Author index to volume 43 1979
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433 Author index to volume 24 1977
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4 p.
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434 Author index to volume 49 1980
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4 p.
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435 Author index to volume 14 1976
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4 p.
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436 Author index to volume 15 1976
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4 p.
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437 Author index to volume 44 1979
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4 p.
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438 Author Index to volume 26 1977
 1-10 3 p. 487-490
4 p.
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439 Author index to volume 8 1975
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4 p.
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440 Author index to volume 51 1980
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441 Author index to volume 41 1979
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4 p.
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442 Author index to volume 66 1982
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5 p.
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443 Author index to volume 63 1981
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4 p.
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444 Author index to volume 124 1988
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5 p.
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445 Author index to volume 76 1983
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4 p.
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446 Author index to volume 196 1995
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5 p.
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447 Author index to volume 192 1995
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4 p.
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448 Author index to volume 151 1991
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4 p.
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449 Author index to volume 171 1993
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4 p.
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450 Author index to volume 156 1991
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6 p.
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451 Author index to volume 161 1992
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452 Author index to volume 159 1992
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453 Author index to volume 166 1992
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454 Author index to volume 187 1994
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455 Author index to volume 173 1993
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456 Author index to volume 179 1994
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457 Author index to volume 155 1991
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458 Author index to volume 152 1991
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459 Author index to volume 149 1991
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460 Author index to volume 160 1992
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461 Author index to volume 163 1992
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462 Author index to volume 181 1994
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463 Author index to volume 189 1994
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464 Author index to volume 153 1991
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465 Author index to volume 150 1991
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466 Author index to volume 170 1993
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467 Author index to volume 154 1991
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468 Author index to volume 157 1991
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469 Author index to volume 185 1994
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470 Author index to volume 164 1992
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471 Author index to volume 174 1993
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472 Author index to volume 177 1993
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473 Author index to volume 169 1993
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474 Author index to volume 198 1995
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475 Author index to volume 193 1995
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476 Author index to volume 197 1995
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477 Author index to volume 200 1995
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478 Author index to volume 206 1996
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3 p.
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479 Author index to volume 215 1997
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480 Author index to volume 216 1997
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481 Author index to volume 220 1997
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482 Author index to volume 203 1996
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483 Author index to volume 210 1996
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484 Author index to volume 208 1996
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485 Author index to volume 53 1980
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486 Author index to volume 57 1981
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487 Author index to volume 111 1987
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488 Author index to volume 96 1985
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489 Author index to volume 83 1984
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490 Author index to volume 79 1983
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491 Author index to volume 86 1984
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492 Author index to volume 120 1988
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493 Author index to volume 89 1984
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494 Author index to volume 73 1982
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495 Author index to volume 140 1990
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6 p.
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496 Author index to volume 70 1982
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497 Author index to volume 113 1987
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498 Author index to volume 69 1982
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499 Author index to volume 218 1997
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500 Author index to volume 221 1997
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501 Author index to volume 136 1989
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502 Author index to volume 123 1988
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503 Author Index to Volume 74 1983
 1-10 3 p. 447-450
4 p.
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504 Author index to volume 85 1984
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505 Author index to volume 95 1985
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506 Author index to volume 112 1987
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507 Author index to volume 71 1982
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4 p.
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508 Author index to volume 102 1986
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509 Author index to volume 135 1989
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4 p.
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510 Author Index to Volume 65 1982
 1-10 3 p. 425-427
3 p.
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511 Author index to volume 82 1983
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512 Author index to volume 55 1981
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513 Author index to volume 88 1984
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514 Author index to volume 94 1985
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515 Author index to volume 144 1990
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516 Author index to volume 68 1982
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517 Author index to volume 106 1986
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518 Author index to volume 61 1981
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519 Author index to volume 64 1982
 1-10 3 p. 449-452
4 p.
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520 Author index to volume 59 1981
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4 p.
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521 Author index to volume 108 1986
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5 p.
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522 Author index to volume 115 1987
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523 Author index to volume 84 1984
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524 Author index to volume 87 1984
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525 Author index to volume 132 1989
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526 Author index to volume 142 1990
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527 Author index to volume 101 1986
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5 p.
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528 Author index to volume 98 1985
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 artikel
529 Author index to volume 114 1987
 1-10 3 p. 463-467
5 p.
 artikel
530 Author index to volume 81 1983
 1-10 3 p. 489-492
4 p.
 artikel
531 Author index to volume 133 1989
 1-10 3 p. 468-472
5 p.
 artikel
532 Author index to volume 80 1983
 1-10 3 p. 396-399
4 p.
 artikel
533 Author index to volume 121 1988
 1-10 3 p. 472-476
5 p.
 artikel
534 Author index to volume 122 1988
 1-10 3 p. 478-482
5 p.
 artikel
535 Author index to volume 116 1987
 1-10 3 p. 457-461
5 p.
 artikel
536 Author index to volume 58 1981
 1-10 3 p. 435-438
4 p.
 artikel
537 Author index to volume 99 1985
 1-10 3 p. 488-491
4 p.
 artikel
538 Author index to volume 105 1986
 1-10 3 p. 480-483
4 p.
 artikel
539 Author index to volume 78 1983
 1-10 3 p. 463-466
4 p.
 artikel
540 Author index to volume 93 1985
 1-10 3 p. 493-497
5 p.
 artikel
541 Author index to volume 143 1990
 1-10 3 p. 468-472
5 p.
 artikel
542 Author index to volume 129 1989
 1-10 3 p. 511-515
5 p.
 artikel
543 Author index to volume 104 1986
 1-10 3 p. 477-482
6 p.
 artikel
544 Author index to volume 72 1982
 1-10 3 p. 457-461
5 p.
 artikel
545 Author index to volume 145 1990
 1-10 3 p. 467-470
4 p.
 artikel
546 Author index to volume 91 1984
 1-10 3 p. 479-483
5 p.
 artikel
547 Author index to volume 54 1981
 1-10 3 p. 425-428
4 p.
 artikel
548 Author index to volume 146 1990
 1-10 3 p. 452-456
5 p.
 artikel
549 Author index to volume 77 1983
 1-10 3 p. 477-480
4 p.
 artikel
550 Author index to Volume 75 1983
 1-10 3 p. 463-466
4 p.
 artikel
551 Author index to volume 60 1981
 1-10 3 p. 427-430
4 p.
 artikel
552 Author index to volume 117 1987
 1-10 3 p. 472-475
4 p.
 artikel
553 Author index to volume 100 1985
 1-10 3 p. 456-459
4 p.
 artikel
554 Author index to volume 118 1987
 1-10 3 p. 467-471
5 p.
 artikel
555 Author index to volume 167 1992
 1-10 3 p. 386-389
 artikel
556 Author index to volumes 1978
 1-10 3 p. 465-468
4 p.
 artikel
557 Author index volume 27 1978
 1-10 3 p. 465-468
4 p.
 artikel
558 Autoionization spectra of Li2 and the X2Σ+ g ground state of Li+ 2: Experimental and theoretical investigations Eisel, D.
 1983
 1-10 3 p. 329-344
16 p.
 artikel
559 A valence-bond diatomics-in-molecules model for the formation of Na+ and Na2 + ions from the interaction of excited sodium atoms with a tungsten surface Kuntz, Philip J.
 1985
 1-10 3 p. 371-384
14 p.
 artikel
560 A validity test of the WCA perturbation theory for two-dimensional Lennard-Jones fluids Cuadros, F.
 1992
 1-10 3 p. 375-382
8 p.
 artikel
561 A vibrational bias mechanism for diatomic dissociation: Induction times and steady rates for O2, H2 and D2 dilute in Ar Kiefer, J.H.
 1979
 1-10 3 p. 329-340
12 p.
 artikel
562 A vibrational study of the CD3H molecule in the curvilinear formulation Iung, Christophe
 1991
 1-10 3 p. 369-377
9 p.
 artikel
563 Avoided-crossing molecular-beam spectroscopy of CH3SiF3 Leo Meerts, W.
 1982
 1-10 3 p. 401-415
15 p.
 artikel
564 Avoided-crossing molecular-beam study of the torsion-rotation energy levels of CH3CF3 Meerts, W.Leo
 1991
 1-10 3 p. 241-259
19 p.
 artikel
565 A wavefunction approach to equations of motion—Green's function methods Freed, Karl F.
 1977
 1-10 3 p. 401-414
14 p.
 artikel
566 A weak-mode representation of floppy molecules. II. Kinetic energy and total Hamiltonian matrix Chapuisat, Xavier
 1992
 1-10 3 p. 391-419
29 p.
 artikel
567 A weak-mode representation of floppy molecules. I. Potential energy Saint-Espès, Cécile
 1992
 1-10 3 p. 377-390
14 p.
 artikel
568 A XANES study of mixed-valence transition-metal oxides and rare-earth alloys Sankar, G.
 1983
 1-10 3 p. 435-442
8 p.
 artikel
569 A Zeeman level crossing study of the symmetry of the potential hindering the torsional oscillator CH3 Sobol, W.T.
 1991
 1-10 3 p. 337-341
5 p.
 artikel
570 Azulene: polarized absorption in stretched polymers and magnetic circular dichroism Thulstrup, Erik W.
 1974
 1-10 3 p. 410-418
9 p.
 artikel
571 Band-state interpretation of lattice thermal conductivity and microhardness of ternary chalcopyrite semiconductors Samanta, L.K.
 1983
 1-10 3 p. 361-365
5 p.
 artikel
572 Band structure of one-dimensional polymers via an SCF-Xα scattered-wave method Rösch, Notker
 1976
 1-10 3 p. 285-298
14 p.
 artikel
573 Barrier height to inversion of aliphatic carbonyl compounds in the S1(n,π*) state; ab initio study of formaldehyde Baba, Masaaki
 1985
 1-10 3 p. 425-430
6 p.
 artikel
574 B (π−1) → A (π−1), X (π−1) emission spectra of chlorofluorobenzene cations in the gaseous phase and their lifetimes in the B (0o) states Maier, John P.
 1980
 1-10 3 p. 295-305
11 p.
 artikel
575 Beam-gas chemiluminescent reactions of Eu and Sm with O3, N2O, NO2 and F2 Dickson, C.R.
 1975
 1-10 3 p. 361-370
10 p.
 artikel
576 Beat motion in DNA double helix and a mechanism of energy exchange between its two strands with microwave frequency Zhang, Chun-Ting
 1996
 1-10 3 p. 271-277
7 p.
 artikel
577 (B + E ⊗ b)⊗ e Jahn–Teller and pseudo-Jahn–Teller effects in the spiropentane radical cation Kumar, R.R.
 2010
 1-10 3 p. 228-237
10 p.
 artikel
578 Behavior of transport characteristics in several one-dimensional disordered systems Oshanin, G.
 1993
 1-10 3 p. 803-819
17 p.
 artikel
579 Benchmark rate constants by the hyperquantization algorithm. The F+H2 reaction for various potential energy surfaces: features of the entrance channel and of the transition state, and low temperature reactivity Aquilanti, Vincenzo
 2005
 1-10 3 p. 237-253
17 p.
 artikel
580 Bifurcation and coexistence of several limit cycles in models of open two-variable quadratic mass-action systems Escher, C.
 1981
 1-10 3 p. 337-348
12 p.
 artikel
581 Bifurcation diagrams for two substrate oscillatory systems Masełko, Jerzy
 1983
 1-10 3 p. 381-389
9 p.
 artikel
582 Bimolecular reaction A + B → 0 at steady state on fractals: Anomalous rate law and reactant self-organization Clément, E.
 1990
 1-10 3 p. 343-350
8 p.
 artikel
583 Binary (e, 2e) spectroscopy and momentum-space chemistry of CO2 Cook, John P.D.
 1982
 1-10 3 p. 339-356
18 p.
 artikel
584 Binding/antibinding analyses for diatomic interactions. hydrogen atom—negative charge system Koga, T.
 1981
 1-10 3 p. 387-395
9 p.
 artikel
585 Blue up-conversion emission from U4+-ion doped into Cs2ZrCl6 single crystal under green light (19436 cm−1) excitation Xu, W.
 1995
 1-10 3 p. 339-344
6 p.
 artikel
586 Boltzmann population and spin—lattice relaxation effects on phosphorescing benzene and the spin sublevel origin of radiative and radiationless decays Kilmer, N.G.
 1978
 1-10 3 p. 355-372
18 p.
 artikel
587 Bond alternation and electronic structure of poly(perinaphthalene) Karabunarliev, S.
 1994
 1-10 3 p. 421-430
10 p.
 artikel
588 Bond centred functions in relativistic and non-relativistic calculations for diatomics Matito, Eduard
 2006
 1-10 3 p. 277-284
8 p.
 artikel
589 Bond-charge calculation of nonlinear optical susceptibilities of LiXO3 type complex crystals Xue, Dongfeng
 1998
 1-10 3 p. 307-318
12 p.
 artikel
590 Bond formation between positively charged species. Non-adiabatic analysis and valence-bond model in the CO2+ case Levasseur, N.
 1991
 1-10 3 p. 387-398
12 p.
 artikel
591 Bonding in zerovalent Ni compounds: NiN2 and Ni(N2)4 compared with NiCO and Ni(CO)4 Bauschlicher Jr., Charles W.
 1989
 1-10 3 p. 431-437
7 p.
 artikel
592 Bond length alternation and energy gap in (CH) x . Application of the intermediate exciton formalism Kertész, M.
 1979
 1-10 3 p. 349-356
8 p.
 artikel
593 Bound and low-lying quasi-bound rotation–vibration energy levels of the ground and first excited electronic states of HeH2 + Kraemer, Wolfgang P.
 2002
 1-10 3 p. 225-242
18 p.
 artikel
594 Bound primitive semiclassical diatomic electronic states Knudson, Stephen K.
 2002
 1-10 3 p. 389-399
11 p.
 artikel
595 Breakdown of Koopmans' theorem and strong shake-up bands in the valence shell region of N2 photoelectron spectra Kosugi, Nobuhiro
 1979
 1-10 3 p. 337-349
13 p.
 artikel
596 Breakdown of the Landau theory in isotropic nematogens as observed by the nonlinear dielectric effect method PyŻuk, Wiesław
 1990
 1-10 3 p. 495-500
6 p.
 artikel
597 Bridged-assisted electron transfer. Random matrix theory approach Gudowska-Nowak, Ewa
 1998
 1-10 3 p. 247-255
9 p.
 artikel
598 Bridge-stacked polymeric structure of a fluorinated Ga(III) porphyrin deduced from a perturbed difference fourier analysis of EXAFS spectra Goulon, J.
 1984
 1-10 3 p. 367-375
9 p.
 artikel
599 Brillouin scattering in liquid mixtures: CCl4/CHCl3 Samios, D.
 1982
 1-10 3 p. 305-311
7 p.
 artikel
600 Broken dynamical symmetry condition to control a chemical reaction by the complex coordinate (t, t′) method Alon, Ofir E.
 1995
 1-10 3 p. 499-510
12 p.
 artikel
601 Broken orbital-symmetry and the description of hole states in the tetrahedral [CrO4]− anion. I. Introductory considerations and calculations on oxygen 1s hole states Broer, R.
 1981
 1-10 3 p. 291-303
13 p.
 artikel
602 Build-up of T—T absorption of acridine and phenazine in the gas phase following singlet excitation with a picosecond pulse Hirata, Yoshinori
 1977
 1-10 3 p. 381-385
5 p.
 artikel
603 Calculated thermodynamics of reactions involving NO+·X complexes (where X = H2O, N2 and CO2) Mack, Paul
 1997
 1-10 3 p. 243-256
14 p.
 artikel
604 Calculation of autocorrelation functions for electronic spectra Dehareng, Dominique
 1984
 1-10 3 p. 393-401
9 p.
 artikel
605 Calculation of chlorine Kα1,2 X-ray emission shifts in molecules Støgård, Åse
 1975
 1-10 3 p. 348-353
6 p.
 artikel
606 Calculation of electric dipole hypershieldings at the nuclei in diatomic molecules Caputo, M.C
 2002
 1-10 3 p. 601-606
6 p.
 artikel
607 Calculation of excitation profiles from the vibronic theory of raman scattering Johnson, Bruce B.
 1977
 1-10 3 p. 303-311
9 p.
 artikel
608 Calculation of macroscopic linear and nonlinear optical susceptibilities for the naphthalene, anthracene and meta-nitroaniline crystals Reis, H.
 2000
 1-10 3 p. 359-371
13 p.
 artikel
609 Calculation of molecular g tensors. Comparison of Rayleigh-Schrödinger and Hartree-Fock perturbation theory Angstl, Reinhard
 1990
 1-10 3 p. 413-426
14 p.
 artikel
610 Calculation of phosphorescence excitation spectra of clusters in isotopically mixed crystals of deuteronaphthalene Lemaistre, J.P.
 1978
 1-10 3 p. 407-414
8 p.
 artikel
611 Calculation of reorientation cross sections for atom-diatom systems Jacobs, Monique
 1978
 1-10 3 p. 443-449
7 p.
 artikel
612 Calculation of the avoided level-crossing muon spin resonance response for various stochastic motions using Monte Carlo methods Tregenna-Piggott, Philip L.W.
 1996
 1-10 3 p. 317-337
21 p.
 artikel
613 Calculation of the exciton band structure of the lowest energy singlet state of fluorene Bree, A.
 1978
 1-10 3 p. 353-359
7 p.
 artikel
614 Calculation of the hyperfine spectrum for H2Ne, H2Ar, H2Kr dimers. Waaijer, M.
 1981
 1-10 3 p. 247-255
9 p.
 artikel
615 Calculation of the lifetimes of predissociative levels of the c3IIu state in H2, HD and D2 Comtet, G.
 1985
 1-10 3 p. 365-370
6 p.
 artikel
616 Calculation of the nmr relaxation time of dilute 129 Xe gas Shizgal, B.
 1974
 1-10 3 p. 464-470
7 p.
 artikel
617 Calculation of the solvent reorganization free energy in the dielectric cavity model Mertz, Edward L.
 1997
 1-10 3 p. 355-370
16 p.
 artikel
618 Calculation of the valence ionization energies of Ni(CO)4 and Cr(NO)4 Smith, Stephen
 1989
 1-10 3 p. 357-361
5 p.
 artikel
619 Calculation of the valence shell correlation effects on ionization potentials. A test on N2, C2N2 and H2NN Decleva, Piero
 1987
 1-10 3 p. 339-347
9 p.
 artikel
620 Calculation of the vertical ionization potentials of oxygen difluoride, difluoramine, and difluoromethane by configuration interaction Langhoff, Stephen R.
 1981
 1-10 3 p. 355-360
6 p.
 artikel
621 Calculation of transition metal compounds using an extension of the CNDO formalism. V. many body effects in the inner valence shell photoionization spectra of free and coordinated carbon monoxide Saddei, Dietmar
 1981
 1-10 3 p. 339-354
16 p.
 artikel
622 Calculations of correlation functions for two-dimensional square ice Yanagawa, A.
 1979
 1-10 3 p. 329-339
11 p.
 artikel
623 Calculations of infrared and Raman band profiles of strong hydrogen bonds, OH stretching bands and proton dynamics in crystalline potassium hydrogen carbonate Fillaux, F.
 1983
 1-10 3 p. 405-412
8 p.
 artikel
624 Calculations of intermode coupling constants and simulations of amide I, II, and III vibrational spectra of dipeptides Choi, Jun-Ho
 2009
 1-10 3 p. 168-175
8 p.
 artikel
625 Calculations of one-dimensional a periodic chains in the self-consistent virtual crystal approximation with random diagonal and off-diagonal elements Seel, M.
 1980
 1-10 3 p. 349-358
10 p.
 artikel
626 Calculations of optical nuclear spin polarizations for randomly oriented molecules Sukhenko, S.A.
 1985
 1-10 3 p. 431-436
6 p.
 artikel
627 Calculations of the Auger transition rates in molecules. I. Effect of the nonspherical potential: Application to CH4 Higashi, M.
 1982
 1-10 3 p. 377-382
6 p.
 artikel
628 Calculations of the partial differential photoionization cross sections for the valence bands of ethylene Grimm, Frederick A.
 1983
 1-10 3 p. 315-327
13 p.
 artikel
629 Calculations on the mechanism of ion polymerization in the formaldehyde crystal Basilevsky, M.V.
 1982
 1-10 3 p. 349-361
13 p.
 artikel
630 Carbon monoxide molecules in an argon matrix: empirical evaluation of the Ar·Ar, C·Ar and O·Ar potential parameters Mirsky, Kira
 1980
 1-10 3 p. 445-455
11 p.
 artikel
631 Cartesian internal coordinates: translational and rotational invariance Jensen, James O.
 1987
 1-10 3 p. 369-379
11 p.
 artikel
632 Catalytic properties of surfaces with respect to generation of CO2 molecules in the plasma Otorbaev, D.K.
 1995
 1-10 3 p. 543-550
8 p.
 artikel
633 Catastrophes and classical surface scattering Horn, T.C.M.
 1991
 1-10 3 p. 275-298
24 p.
 artikel
634 Cation dynamics in [N(CH3)4]3Sb2Cl9 (TEMACA) - NMR study Jagadeesh, B.
 1992
 1-10 3 p. 351-355
5 p.
 artikel
635 Cationic and anionic states of CF, CCl, SiF and SiCl. Some new information derived using translational energy spectroscopy Reid, C.J.
 1996
 1-10 3 p. 501-511
11 p.
 artikel
636 Cationic, structural, and compositional effects on the surface structure of zeolitic aluminosilicate catalysts Limtrakul, Jumras
 1996
 1-10 3 p. 331-340
10 p.
 artikel
637 Cavity ringdown spectroscopy search for transition metal dimers Kraus, D.
 1999
 1-10 3 p. 431-434
4 p.
 artikel
638 Cd-113 and Al-27 NMR relaxation study of aquoeus solutions adsorbed on silica gels and zeolite NaY Monduzzi, Maura
 1985
 1-10 3 p. 419-426
8 p.
 artikel
639 CEPA Calculations of potential energy surfaces for open-shell systems. II. The reaction of C+ Ions with molecular hydrogen Jaquet, Ralph
 1982
 1-10 3 p. 479-489
11 p.
 artikel
640 Cepa calculations of potential energy surfaces for open-shell systems. I. The reaction of O(3P) with H2(1Σg +) Jaquet, Ralph
 1981
 1-10 3 p. 373-385
13 p.
 artikel
641 Channel-three decay in benzene a picosecond fluorescence investigation Sumitani, M.
 1985
 1-10 3 p. 359-371
13 p.
 artikel
642 Channel-three decay in C6D6 O'Connor, D.V.
 1985
 1-10 3 p. 373-380
8 p.
 artikel
643 Characterisation of species of triplet miniclusters in the system N-h 8/N-d 8. Cluster—cluster interactions and model inhomogeneous distributions in a two-dimensional lattice Pee, Ph.
 1978
 1-10 3 p. 429-437
9 p.
 artikel
644 Characterization of conformers of non-ionized proline on the basis of topological and NBO analyses: Can nitrogen be a donor of hydrogen bond? Ebrahimi, Ali
 2006
 1-10 3 p. 289-297
9 p.
 artikel
645 Characterization of the flow of the CO/CO2 gases through carbon nanotube junctions using molecular dynamic simulations Sabzyan, Hassan
 2009
 1-10 3 p. 120-129
10 p.
 artikel
646 Charge transfer and electron backdonation in metallofullerenes encapsulating NSc3 Liu, Dan
 2006
 1-10 3 p. 380-386
7 p.
 artikel
647 Charge transfer between Si3+ and helium at thermal and low energies Honvault, P.
 1998
 1-10 3 p. 401-406
6 p.
 artikel
648 Charge-transfer collisions of potassium and rubidium with chlorine clusters: Collision-energy dependence of cluster-products Ross, Ulrich
 1987
 1-10 3 p. 415-426
12 p.
 artikel
649 Charge-transfer excitons in anthracene crystals. A theoretical investigation of their optical absorption and thermal dissociation Bounds, Pamela J.
 1981
 1-10 3 p. 303-320
18 p.
 artikel
650 Charge-transfer excitons in the dielectric theory of molecular crystals Munn, R.W.
 1997
 1-10 3 p. 301-307
7 p.
 artikel
651 Charge transfer in H+ + H− collisions Borondo, F.
 1983
 1-10 3 p. 303-314
12 p.
 artikel
652 Charge transfer recombination of Si2+ ions from atomic hydrogen Bacchus-Montabonel, M.C.
 1998
 1-10 3 p. 245-250
6 p.
 artikel
653 Charge transfer to a solvent state. VIII. Localization of charge during the transition state of the solute: The solute cation localization energy Truong, Thu Ba
 1983
 1-10 3 p. 377-390
14 p.
 artikel
654 Charge transfer transitions in extended correlated electronic systems Bondeson, S.R.
 1979
 1-10 3 p. 403-414
12 p.
 artikel
655 Chemical bonding and magnetic properties of the high-spin molecule [Mn12O12(HCOO)16(H2O)4] Duan, Yuhua
 1998
 1-10 3 p. 407-419
13 p.
 artikel
656 Chemical effects of low energy electron impact on hydrocarbons in the gas phase Derai, R.
 1976
 1-10 3 p. 331-344
14 p.
 artikel
657 Chemically induced dynamic nuclear polarizations (CIDNP) and kinetic studies of the decomposition of di-t-butylmagnesium, -zinc, and -mercury Benn, Reinhard
 1976
 1-10 3 p. 369-376
8 p.
 artikel
658 Chemical reactions in solution: modelling of the delay of solvent synchronism (dielectric friction) along the reaction path of an SN2 reaction Aguilar, M.
 1993
 1-10 3 p. 397-407
11 p.
 artikel
659 Chemical state effect in the auger (C KVV and Si LVV) spectra of hexamethyldisilane De Souza, G.G.B.
 1989
 1-10 3 p. 491-494
4 p.
 artikel
660 Chemical structures from multi-electron density operators Karafiloglou, Padeleimon
 1990
 1-10 3 p. 373-383
11 p.
 artikel
661 Chemiluminescence mapping. I. Experimental method and initial measurments on the D+F2 and F+D2 reactions Bittenson, S.
 1981
 1-10 3 p. 313-323
11 p.
 artikel
662 Chemiluminescence study of methane—fluorine combustion: Observation and analysis of HCF A 1A″- X 1A′ Patel, Rajendra I.
 1980
 1-10 3 p. 461-468
8 p.
 artikel
663 Chiral discrimination in the liquid state a hard-core model for the role of repulsive forces Craig, David P.
 1982
 1-10 3 p. 349-362
14 p.
 artikel
664 Chirality-dependent two-photon absorption probabilities and circular dichroic line strengths: theory, calculation and measurement [Chemical Physics 208 (1996) 195–219] Gunde, Kevin E.
 1996
 1-10 3 p. 515-
1 p.
 artikel
665 CIDEP and kinetics of 1,4-naphthosemiquinone radicals during photoreduction Frydkjaer, S.
 1980
 1-10 3 p. 335-342
8 p.
 artikel
666 Circular dichroism of oriented molecules. Magnetic dipole and electric quadrupole contribution to the ACD of chirally substituted diaminoanthraquinones Kuball, H.-G.
 1993
 1-10 3 p. 335-350
16 p.
 artikel
667 Circulation reactions. III. Self-oscillating mode of chemical circulations Zubkov, A.V.
 1978
 1-10 3 p. 477-484
8 p.
 artikel
668 Circulation reactions. I. Quasistationary circulation of chemical reactions in liquids Zubkov, A.V.
 1978
 1-10 3 p. 365-377
13 p.
 artikel
669 Clarification of the assignment of the electronic spectrum of hydrogen chloride based on ab initio cl calculations Bettendorff, Marc
 1982
 1-10 3 p. 261-279
19 p.
 artikel
670 Classical differential cross sections and rotational energy transfer distributions for realistic ion—molecule potentials in the CPST limit Budenholzer, Frank E.
 1982
 1-10 3 p. 323-335
13 p.
 artikel
671 Classical dynamics of the 1:1, 1:2 and 1:3 resonance Hamiltonians Joyeux, Marc
 1996
 1-10 3 p. 281-307
27 p.
 artikel
672 Classical dynamics of vibrational-translational energy transfer in linear collisions of an atom and a diatomic molecule/anharmonic oscillator Skrebkov, O.V.
 1995
 1-10 3 p. 297-310
14 p.
 artikel
673 Classical dynamics study of the H+BrCh3 → HBr+CH3 reaction Sayós, Ramón
 1985
 1-10 3 p. 409-419
11 p.
 artikel
674 Classical partition functions for two-dimensional hindered rotations. Application to the combination of H with CH3 King, S.Christopher
 1988
 1-10 3 p. 329-338
10 p.
 artikel
675 Classical path sudden approximations for atom—rigid rotor collisions Nyeland, Carl
 1981
 1-10 3 p. 359-367
9 p.
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676 Classical S matrix: Application to classically forbidden vibrational excitation for He+HBr and H+Br2 Duff, James W.
 1976
 1-10 3 p. 249-254
6 p.
 artikel
677 Classical S-matrix study of tunneling reactions H + HR → H2 + R or hydrogen atoms with hydrocarbons Ovchinnikova, M.Ya.
 1977
 1-10 3 p. 313-326
14 p.
 artikel
678 Classical theory of collisional entropy production Nesbet, R.K.
 1978
 1-10 3 p. 295-301
7 p.
 artikel
679 Classical trajectory study of rotationally inelastic scattering of two HF molecules Alper, Joseph S.
 1978
 1-10 3 p. 471-479
9 p.
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680 Classical trajectory study on Ar−Cl2 van der Waals system using a recent potential Lemes, N.H.T.
 1999
 1-10 3 p. 305-311
7 p.
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681 Classical treatment of a heisenberg linear chain with spin alternation; application to the MnNi(EDTA)-6H2O complex Drillon, M.
 1983
 1-10 3 p. 449-453
5 p.
 artikel
682 Classical treatments of quantum mechanical effects in collisions of weakly bound complexes López, José G.
 2005
 1-10 3 p. 267-276
10 p.
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683 Classification of Cm I energy levels using PCA-BPN and PCA-NLM Cao, Xiaowei
 1997
 1-10 3 p. 289-297
9 p.
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684 ClH(ClD) stretching band shape analysis in isolated 1−1 complexes of hydrochloric acid with ethers Bernadet, Philippe
 1986
 1-10 3 p. 447-458
12 p.
 artikel
685 Close coupled, energy sudden, distorted wave-energy sudden and quasiclassical trajectory study of a model H2-uncorrugated surface scattering system Fitz, D.E.
 1981
 1-10 3 p. 257-268
12 p.
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686 Close-coupling calculations of the cross sections and relaxation rates for ro-vibrational transitions in H2 colliding with He Orlikowski, Tadeusz
 1981
 1-10 3 p. 405-413
9 p.
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687 Cluster-assisted multiple ionization of methyl iodide by a nanosecond laser: Influence of laser intensity on the kinetic energy and peak profile of multicharged ions Wen, Lihua
 2006
 1-10 3 p. 360-365
6 p.
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688 Cluster expansion of molecular tensor properties: electric dipole moments of methane derivatives Haase, Dietrich
 1992
 1-10 3 p. 403-418
16 p.
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689 Cluster expansion of the wavefunction, valence and rydberg excitations, ionizations, and inner-valence ionizations of CO2 and N2O studied by the sac and sac CI theories Nakatsuji, Hiroshi
 1983
 1-10 3 p. 425-441
17 p.
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690 Clusters containing BF3, O(CH3)2 and aromatic compounds: An electron impact and photoionization study Eisenhardt, C.G.
 1997
 1-10 3 p. 427-436
10 p.
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691 13C, 14N and 2H magnetic relaxation and anisotropic molecular reorientation of nitrobenzene Stark, Ruth E.
 1977
 1-10 3 p. 337-345
9 p.
 artikel
692 13C NMR and quantum-chemical investigation of cation/ethene interaction Meiler, W.
 1983
 1-10 3 p. 379-384
6 p.
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693 13C NMR chemical shift and electronic structure of polyoxymethylene in the solid state Kurosu, Hiromichi
 1987
 1-10 3 p. 391-398
8 p.
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694 13C NMR of molecules partially aligned by an electric field: A new method for determining the orientation of the dipole moment Plantenga, T.M.
 1980
 1-10 3 p. 359-368
10 p.
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695 Coherence effects in the anisotropy of optical experiments 1993
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1 p.
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696 Coherence retention during rotationally inelastic collisions of selectively excited diatomic sulfur Caughey, Thomas A.
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9 p.
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697 Coherent effects in femtosecond infrared spectroscopy Hamm, P.
 1995
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15 p.
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698 C2O(Ã 3Π i ↔-~X3Σ−: laser induced excitation and fluorescence spectra Pitts, W.M.
 1981
 1-10 3 p. 451-464
14 p.
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699 CO2 laser-induced fluorescence studies of vibrational energy transfer in N2O McNesby, Kevin L.
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6 p.
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700 Cold photoconductivity in a system of interacting charge-transfer excitons at a donor–acceptor interface Kiselev, S.A.
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 1-10 3 p. 365-372
8 p.
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701 Collective proton transfer in the (AH…)∞ system with double-Morse symmetric potential. I. Model of proton kink defect Kryachko, Eugene S.
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 1-10 3 p. 359-370
12 p.
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702 Collinear collisions in a double-morse well Schlier, Christoph G.
 1986
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9 p.
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703 Collinear recrossing corrections to rate constants for diatom dissociation and recombination Snider, Neil
 1987
 1-10 3 p. 349-356
8 p.
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704 Collisional energy transfer involving molecules in 1II electronic states: fully quantum study of collisions of Li2(B1IIu) with He and Ne Lemoine, Didier
 1987
 1-10 3 p. 357-377
21 p.
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705 Collisional excitation of vibrations in H2 + H, D encounters using rotational averaging Gianturco, F.A.
 1977
 1-10 3 p. 401-407
7 p.
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706 Collisional ionization of highly excited neon atoms by nonpolar hydrocarbons Uematsu, Masashi
 1982
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7 p.
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707 Collisional ionization of highly excited neon atoms by vibrational de-excitation of a non-polar target molecule Uematsu, Masashi
 1984
 1-10 3 p. 413-419
7 p.
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708 Collisional narrowing and shifting in the Raman Q-branch of oxygen at high density Millot, G.
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 1-10 3 p. 505-512
8 p.
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709 Collisional perturbation of quantum regular and irregular intramolecular states: State-to-state study of a model Nalewajski, Roman F.
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18 p.
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710 Collisional perturbation of regular and irregular intramolecular dynamics: A classical dynamical study Nalewajski, Roman F.
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21 p.
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711 Collisional relaxation of singlet O2 (b 1 Σ + g ) in neat gas investigated by laser-induced grating technique Hemmerling, B.
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30 p.
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712 Collisional relaxation of transient vibrational energy distributions in a thermal unimolecular system. The variable encounter method Kelley, D.F.
 1980
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13 p.
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713 Collisional vibrational excitation of lithium hydride Dagdigian, Paul J.
 1980
 1-10 3 p. 279-285
7 p.
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714 Collision dynamics of excited NaK. II. Rotationally inelastic energy transfer McCormack, J.
 1980
 1-10 3 p. 405-416
12 p.
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715 Collision-free lifetimes of selectivity excited levels in the 2B2-2A1 system of NO2 Persch, G.
 1986
 1-10 3 p. 471-479
9 p.
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716 Collision-induced absorption in a HeAr mixture Raczyński, Andrzej
 1982
 1-10 3 p. 321-325
5 p.
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717 Collision-induced absorption of infrared radiation by N2, O2 and CO2 Manzanares I, Carlos
 1984
 1-10 3 p. 363-371
9 p.
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718 Collision-induced dissociation of dye-laser excited Li2(A 1Σ+ u) Ennen, G.
 1979
 1-10 3 p. 415-421
7 p.
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719 Collision induced dissociation of Na2: dependence of the dissociation rate on the vibrational distribution Huber, R.
 1978
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7 p.
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720 Collision-induced light scattering by isotropic molecules: the role of the quadrupole polarizability El-Sheikh, S.M.
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6 p.
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721 Collision-induced rotational transitions in NaLi(1 1973
 1-10 3 p. 276-
1 p.
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722 Combined rotationally sudden and vibrationally exact quantum treatment of proton-H2 collisions Schinke, R.
 1978
 1-10 3 p. 391-412
22 p.
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723 Combining transition state calculations with quasiclassical trajectory calculations Frost, Robert J.
 1987
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12 p.
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724 Combining transition state theory with quasiclassical trajectory calculations. III. Applications to the three-dimensional H + H2(ν) reaction Frost, Robert J.
 1987
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18 p.
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725 Comment on “Analysis of mixed solvent effects on the properties of singlet oxygen (1Δg)” [Chem. Phys. 300 (2004) 33–39] Schmidt, Reinhard
 2004
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2 p.
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726 Comment on collisionless vibrational relaxation Fuss, W.
 1983
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6 p.
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727 Comment on “dielectric relaxation processes of symmetrically substituted phenols in a few glassy media” Gilchrist, John
 1991
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1 p.
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728 Comment on “H3O+ and OH−, the real ions in aqueous acids and bases” Giguère, Paul A.
 1981
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3 p.
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729 Comment on “photochemical reaction of 4-methyl-2-quinolinecarbonitrile with optically active (S)- or (R)-2-phenylpropionic acid. The magnetic-field and solvent effects and chiral-symmetry breaking” Nakagaki, Ryoichi
 1994
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7 p.
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730 Comment on “Theoretical study of indole: protonation, indolyl radical, tautomers of indole, and its interaction with water” [Chem. Phys. 301 (2004) 61–79] Mourik, Tanja van
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3 p.
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731 Comment on “The phonon theory of IR continua” Zundel, G.
 1979
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2 p.
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732 Comments on exciton—phonon coupling. II. Variational solutions Allen, J.W.
 1979
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9 p.
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733 Comments on the various representations of differential cross sections Brenot, J.C.
 1994
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8 p.
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734 Common features in slow electron scattering by methane and the heavier noble gases Freeman, Gordon R.
 1993
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5 p.
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735 Comparative reinvestigation of the interaction of phonons with Wannier and Frenkel excitons in crystalline solids Singh, Jai
 1983
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7 p.
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736 Comparative sensibility of S1 ←S0 and S2 ←S0 indole electronic transitions to environment perturbations. The positions of the 0—0 bands in polar media Martinaud, M.
 1978
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13 p.
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737 Comparative studies of the underlying local order corresponding to different radial distribution functions of disordered materials Tóth, Gergely
 1992
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9 p.
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738 Comparative study of the spectroscopic properties of Cr4+-doped LiAlO2 and LiGaO2 Kück, S.
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15 p.
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739 Comparison of ab initio calculated and experimental methyl-top moments of inertia Demaison, J.
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 1-10 3 p. 421-428
8 p.
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740 Comparison of close-coupling and approximate methods for F(2P 1 2 ) + H2 non-reactive collisions: Translational wavefunction analysis Mcnutt, Joe F.
 1981
 1-10 3 p. 423-434
12 p.
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741 Comparison of harmonic and anharmonic matrix elements: application to vibrational energy transfer Ulrich, H.
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7 p.
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742 Comparison of intensity distribution in the spectra of complex molecules cooled in a supersonic jet and in a crystalline matrix Plakhotnik, T.V.
 1991
 1-10 3 p. 429-444
16 p.
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743 Comparison of measured total integral cross sections for noble gas dimer-atom systems with IOSA calculations Vehmeyer, H.
 1979
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7 p.
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744 Comparison of molecular energy predictions for the neutral and ionic (C, H n , O; n=0–4) system by ab initio Gaussian-2 and density functional methods Ma, Ngai Ling
 1994
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11 p.
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745 Comparison of multipole moment expansions by direct summation or finite-field SCF methods with full electrostatic interaction energies: Application to CO and N2 Gready, Jill E.
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 1-10 3 p. 375-390
16 p.
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746 Comparison of quantum mechanical and semiclassical (classical path) probabilities for vibrational transitions in diatom-diatom collisions Billing, Gert Due
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 1-10 3 p. 323-333
11 p.
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747 Comparison of rotational energies and rigidity of OCS–para-H2 and OCS–4He complexes Zillich, R.E.
 2003
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11 p.
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748 Comparison of theoretical models of laser ablation of polyimide with experimental results Singleton, Donald L.
 1990
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9 p.
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749 Comparisons between experimental argon and Lennard-Jones 12:6 shear viscosities Fincham, D.
 1983
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17 p.
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750 Competition between collisions and optical pumping in unimolecular reactions induced by monochromatic infrared radiation Duperrex, R.
1-10 3 p. 275-287
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751 Complexes of spiropyran-derived merocyanines with metal ions: relaxation kinetics, photochemistry and solvent effects Chibisov, Alexander K.
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18 p.
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752 Comprehensive DFT and MO studies on glyoxilic acid oxime and related ions in gas phase and solution: Conformations, basicities and acidities Georgieva, Ivelina
 2006
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14 p.
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753 Compromize orbital calculations by an improved MC-GBT approach. Core excited states of HF Chang, T.C.
 1985
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14 p.
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754 Computational experiments on the intramolecular energy flow in macromolecules Sumpter, Bobby G.
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11 p.
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755 Computational study of the thermal reaction rate between S+(4S) and acetylene Aschi, Massimiliano
 2001
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11 p.
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756 Computational test of the infinite order sudden approximation for excitation of linear rigid rotors by collisions with atoms Green, Sheldon
 1978
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7 p.
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757 Computation of some thermodynamic properties of nitrogen using a new intermolecular potential from molecular dynamics simulation Goharshadi, Elaheh K.
 2009
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11 p.
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758 Computation of the short-range part of the intermolecular potential between Ar and CO2, N2O and OCS by two different models Dutartre, Nicole
 1988
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10 p.
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759 Computation of time-dependent transition probabilities in excimer molecules induced by femtosecond laser pulses Petsalakis, Ioannis D.
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14 p.
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760 Computed (V, T) energy transfer from realistic interactions. I. The O2Ar mixture Battaglia, F.
 1981
 1-10 3 p. 397-404
8 p.
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761 Computer simulation of partially diffusion-controlled reactions López-Quintela, M.Arturo
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 1-10 3 p. 307-313
7 p.
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762 Computer-simulation of the multiple-quantum dynamics of one-, two- and three-dimensional spin distributions Scruggs, Bruce E.
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 1-10 3 p. 367-378
12 p.
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763 Computer simulation studies of anisotropic systems. IX. The Maier—Saupe theory for nematic liquid crystals and the molecular field approximation Luckhurst, G.R.
 1982
 1-10 3 p. 337-348
12 p.
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764 Concentration and temperature dependence of electronic and vibrational energy relaxation of O2 in liquid mixtures Faltermeier, B.
 1981
 1-10 3 p. 377-385
9 p.
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765 Concentration-dependent fluorescence behaviour of oxazine 750 and rhodamine 6G in porous silicate xerogel monoliths Ammer, F.
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7 p.
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766 Concentration fluctuations in binary mixtures of model polar fluids Joarder, R.N.
 1985
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7 p.
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767 Conditions for the existence of the “primitive function” in “exchange perturbation theory” Kutzelnigg, Werner
 1978
 1-10 3 p. 293-298
6 p.
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768 Configuration interaction and perturbation study of the electron correlation contribution to the dipole polarizability of beryllium Diercksen, Geerd H.F.
 1982
 1-10 3 p. 407-415
9 p.
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769 Configuration interaction study of the electronic spectrum of furan Thunemann, Karl-Heinz
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 1-10 3 p. 313-320
8 p.
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770 Configuration interaction study of the oscillator strenghts for the B 1A1 X 1A1 and D 1A1 X 1A1 transitions of the water molecule Theodorakopoulos, Giannoula
 1985
 1-10 3 p. 331-337
7 p.
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771 Conformational dependence of the quadratic hyperpolarisabilities of a series of push-pull diaryl acetylenes: An experimental and computational investigation Barzoukas, M.
 1991
 1-10 3 p. 457-464
8 p.
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772 Conformational dependence of the quadratic hyperpolarisabilities of a series of push-pull stilbenes: characterisation and investigation of empirical correlations Barzoukas, M.
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 1-10 3 p. 395-406
12 p.
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773 Conformational energetics in hydrogen-bonded dimers. The unobserved COHF complex Benzel, Mark A.
 1983
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6 p.
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774 Conformation-dependent excited state absorptions of 3,3″,5,5″-tetramethyl-para-terphenyl Menzel, Ralf
 1988
 1-10 3 p. 417-424
8 p.
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775 Conformation of biphenyl in a cyclohexane host at 10 K Gillispie, Gregory D.
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 1-10 3 p. 459-465
7 p.
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776 Conformation transition in the protein of a photosynthetic reaction center observed at the nanometer range of distances at cryogenic temperatures Borovykh, I.V.
 2003
 1-10 3 p. 433-438
6 p.
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777 Connection of the vibron model with the modified Pöschl–Teller potential in configuration space Lemus, R.
 2002
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17 p.
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778 Consistent force field modeling of substitutional defects representative for matrix-isolated molecules. II. trans-1,2-difluoroethane: Ar364 Gunde, R.
 1987
 1-10 3 p. 339-349
11 p.
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779 Consistent force field model treatment of the normal coordinate problem of matrix isolated molecules Gunde, R.
 1982
 1-10 3 p. 313-332
20 p.
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780 Construction of a molecular beam Fourier transform microwave spectrometer used to study the 2,5-dihydrofuran-argon van der Waals complex Alonso, JoséL.
 1997
 1-10 3 p. 267-275
9 p.
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781 Contents 2010
 1-10 3 p. iii-viii
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782 Contribution of the 4p sublevel to the Balmer-β emission intensity from H(n=4) produced in electron–H2, CHF3, CH4 and C3H8 collisions as studied by photon–photon coincidence experiments Furuya, Kenji
 2003
 1-10 3 p. 229-234
6 p.
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783 Contribution of the relativistic mass correction to the g tensor of molecules Angstl, Reinhard
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 1-10 3 p. 435-442
8 p.
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784 Contributions to the spectroscopic–kinetic analysis of linear reaction systems Polster, J.
 1999
 1-10 3 p. 331-351
21 p.
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785 Contribution to the theory of microwave-induced optical nuclear polarization (MI ONP). Formal equivalence of microwave-induced and level-anticrossing optical nuclear polarization. Extremum values for polarization Colpa, J.P.
 1984
 1-10 3 p. 425-433
9 p.
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786 Control of charge transfer by conformational and electronic effects: Donor–donor and donor–acceptor phenyl pyrroles Neubauer, Antje
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10 p.
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787 Control of electron delocalization in linear tricenter mixed-valence compounds Bersuker, I.B.
 1989
 1-10 3 p. 379-384
6 p.
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788 Control of the yield of photophysical/photochemical processes by excitation with properly delayed ultrashort phase-locked light pulses: a model study on the pyrazine S2 → S 1 internal conversion Ferretti, Alessandro
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 1-10 3 p. 447-454
8 p.
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789 Cooperative effects in blue-shifted hydrogen bonded cluster of CF 3 H ⋯ ( HF ) 1 ⩽ n ⩽ 3 from first principles simulations Rodziewicz, P.
 2009
 1-10 3 p. 129-136
8 p.
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790 Cooperative two-phonon absorption in solid α-nitrogen in the 4600–4700 cm−1 region Legay, F.
 1996
 1-10 3 p. 363-373
11 p.
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791 Core (chlorine 2p)- and (phosphorus 2p)-valence-valence Auger spectra of the PCl3 molecule Platania, R.
 1992
 1-10 3 p. 381-386
6 p.
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792 Core-electron relaxation energy in small metallic particles Castellani, Norberto J.
 1985
 1-10 3 p. 459-468
10 p.
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793 Core-valence correlation effects in calcium hydride Pettersson, Lars G.M.
 1983
 1-10 3 p. 355-368
14 p.
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794 Correlation corrected energy bands of nucleotide base stacks Bogár, F.
 1998
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11 p.
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795 Correlation effects and the 1s hole satellite spectrum of N2 Rodwell, W.R.
 1977
 1-10 3 p. 467-473
7 p.
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796 Correlation effects in the kinetics of bimolecular diffusion-mediated reactions Gaididei, Yu.B.
 1987
 1-10 3 p. 367-384
18 p.
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797 Correlation effects on hydrogen-bond potentials. SCF Cl calculations for the systems HF− 2 and H3O− 2 Støgård, A.
 1975
 1-10 3 p. 405-411
7 p.
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798 Correlations between dynamical properties and features of potential energy surfaces for the exothermic light-atom-transfer reaction O+HBr→OH+Br Persky, Avigdor
 1989
 1-10 3 p. 415-423
9 p.
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799 Correlations in anticrossing spectra and scattering theory: Numerical simulations Hartmann, U.
 1991
 1-10 3 p. 311-320
10 p.
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800 Corrigendum to “Quantum yield of triplet formation of riboflavin in aqueous solution and of flavin mononucleotide bound to the LOV1 domain of Phot1 from Chlamydomonas reinhardtii” [Chemical Physics 291 (2003) 97–114] Islam, Shafiqul D.M.
 2003
 1-10 3 p. 397-
1 p.
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801 Coupled hartree-fock and second order polarization propagator calculations of indirect nuclear spin-spin coupling constants for diatomic molecules Oddershede, Jens
 1977
 1-10 3 p. 451-458
8 p.
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802 Coupled-wavepacket study of model dissociative charge exchange in collisions between a diatomic ion and a diatomic molecule Aguillon, F.
 1993
 1-10 3 p. 363-373
11 p.
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803 Crossed-beam chemiluminescence: The alkaline earth rearrangement reaction M + S2Cl2 → S2 * + MCl2 Engelke, F.
 1977
 1-10 3 p. 327-340
14 p.
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804 Cross relaxation between the spin levels of phosphorescent 1,2,4,5-tetrachlorobenzene and photochemical products of the durene host Pitts, William M.
 1977
 1-10 3 p. 315-323
9 p.
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805 Cross sections and rate constants for rotational and vibrational excitation of H2 and D2 colliding with 4He Due Billing, Gert
 1978
 1-10 3 p. 387-400
14 p.
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806 Crystal field effects on the ground and lowest excited triplet states of benzene isotopes in a borazine host crystal M. Van Pruyssen, Jean
 1974
 1-10 3 p. 382-402
21 p.
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807 Crystal orbital studies of chemisorption: the adsorption of molecular hydrogen on beryllium Lavery, Richard
 1976
 1-10 3 p. 281-286
6 p.
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808 Crystal structure and photoluminescence of single crystals of fullerene-9,9′-trans-bis(telluraxanthenyl) molecular complex: C26H18Te2 · C60 · CS2 Kveder, V.V.
 1997
 1-10 3 p. 407-415
9 p.
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809 Crystal structures, optical properties and theoretical calculation of novel two-photon polymerization initiators Zhou, Hong-Ping
 2006
 1-10 3 p. 459-470
12 p.
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810 C1s and O1s gas phase shake-up spectra from Mo(CO)6 Bustad, J.
 1994
 1-10 3 p. 303-312
10 p.
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811 Cubic Spline Method for Solving Second-Order Differential Equations Theory and application to the Thomas-Fermi Model for Ions Raynor, Susanne
 1982
 1-10 3 p. 409-415
7 p.
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812 Current–voltage characteristics of tunneling molecular junctions for off-resonance injection Mujica, Vladimiro
 2001
 1-10 3 p. 365-370
6 p.
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813 Curve crossing and vibrational predissociation of van der Waals molecules Ewing, George E.
 1981
 1-10 3 p. 411-418
8 p.
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814 Damped motion in a two-dimensional double well I. Proton tunneling in a hydrogen bond Rosch, Notker
 1973
 1-10 3 p. 220-231
12 p.
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815 Decay of angular correlation functions by multiple rotational potential diffusion in polymer chains, with applications to NMR relaxation in paraffin chains of lipid bilayers Edholm, O.
 1979
 1-10 3 p. 449-464
16 p.
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816 Decay of the A2Σ+ and B2II quasibound states of HeH Kubach, C.
 1987
 1-10 3 p. 439-447
9 p.
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817 Decay of the resonance fluorescence following pulsed excitation of a weakly disordered excitonic system Boukahil, A.
 1993
 1-10 3 p. 709-714
6 p.
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818 Degenerate electron exchange of radical ions in liquid solution studied by pulse NMR Burri, Jürg
 1992
 1-10 3 p. 429-435
7 p.
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819 Degree of aggregation of indocyanine green in aqueous solutions determined by Mie scattering Weigand, R.
 1997
 1-10 3 p. 373-384
12 p.
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820 Delayed fluorescence from the lowest 1B+ 3u state of anthracene, due to hetero-triplet—triplet annihilation of 3anthracene* and 3xanthone* Nickel, Bernhard
 1982
 1-10 3 p. 365-376
12 p.
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821 Density and flux analysis for the collinear H + H2, reaction Pollak, Eli
 1982
 1-10 3 p. 207-221
15 p.
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822 Density and temperature dependence of the relaxation of the 1Δg state of highly compressed O2 fluid Chatelet, M.
 1986
 1-10 3 p. 387-394
8 p.
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823 Density effects in collision induced light absorption in helium-argon mixtures Freasier, Ben C.
 1981
 1-10 3 p. 347-354
8 p.
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824 Density functional and ab initio study of the tautomeric forms of 3-acetyl tetronic and 3-acetyl tetramic acids Skylaris, Chris-Kriton
 2003
 1-10 3 p. 355-363
9 p.
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825 Density functional and multiphoton ionization studies of N,N-dimethylformamide–(methanol) n clusters Zhang, Bailin
 2002
 1-10 3 p. 229-238
10 p.
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826 Density functional based structure optimization for molecules containing heavy elements: analytical energy gradients for the Douglas-Kroll-Hess scalar relativistic approach to the LCGTO-DF method Nasluzov, Vladimir A.
 1996
 1-10 3 p. 413-425
13 p.
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827 Density functional studies on the mechanisms of unimolecular reactions of HXCSe (X=H, F, Cl, and Br) Liao, Hsin-Yi
 2000
 1-10 3 p. 275-287
13 p.
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828 Density-functional study for the NO x (x =1, 2) dissociation mechanism on the Cu(111) surface Yen, Mei-Yin
 2010
 1-10 3 p. 300-306
7 p.
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829 Density functional study of the 5-methylcytosine tautomers Sambrano, J.R
 2001
 1-10 3 p. 333-340
8 p.
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830 Density functional theory and Hartree–Fock-density functional theory calculations of 17O, 33S, and 73Ge quadrupole coupling constants Bailey, W.C
 2000
 1-10 3 p. 327-335
9 p.
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831 Density functional theory studies of methylated uracil: geometries and energies Zhang, C.F.
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 1-10 3 p. 275-287
13 p.
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832 Density, refractive index and sorption capacity of solid CO2 layers Schulze, W.
 1980
 1-10 3 p. 381-388
8 p.
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833 Dependence of collision complex lifetime on product internal state: Laser fluorescence detection of the Ca + NaCl crossed beam reaction Dagdigian, Paul J.
 1977
 1-10 3 p. 453-466
14 p.
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834 Dependence on molecular parameters of the heat capacity critical behaviour for nitroalkane+alcohol binary systems Souto-Caride, M.
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835 Dephasing in isolated one-dimensional quantum systems Brickmann, J.
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 1-10 3 p. 369-375
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836 Depolarization dispersion curves of resonance Raman fundamentals of metalloporphyrins and metallophthalocyanines subject to asymmetric perturbations Zgierski, M.Z.
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 1-10 3 p. 335-367
33 p.
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837 Derivation and evaluation of a flexible SPC model for liquid water Amira, Sami
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8 p.
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838 Detection and identification of free radicals in the gaseous-phase ozonolysis of ethylene: microreactor-matrix ESR spectroscopy Rákóczi, F.J.
 1983
 1-10 3 p. 273-299
27 p.
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839 Detection of higher excited states of p-fluorotoluene with (3 + 1)RMPI spectra Mei-Rong, Lin
 1995
 1-10 3 p. 439-444
6 p.
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840 Detection of several electronically metastable atomic states by gas phase EPR Diebold, G.J.
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 1-10 3 p. 453-460
8 p.
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841 Detergent effects on primary charge separation in wild-type and mutant Rhodobacter capsulatus reaction centers Kirmaier, Christine
 2003
 1-10 3 p. 305-318
14 p.
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842 Determination of absolute cross sections and rate coefficients for state-to-state reactions He+(X 2S)+H2(X 1Σg +)→He(1snl+H2 +(j 2A) in ion beam experiments Wu, Richard L.C.
 1981
 1-10 3 p. 385-397
13 p.
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843 Determination of a complete dielectric tensor of polymerizable pTS diacetylene Orczyk, Maciej E.
 1990
 1-10 3 p. 485-493
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844 Determination of excited state lifetimes and ionization potentials by dual beam visible lasers Parker, David H.
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 1-10 3 p. 379-387
9 p.
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845 Determination of long-range intermolecular interaction energies using RPA/moment function methods. Application to H2O, H2O2 and H2O/H2O2 mixtures Martire, Bruce
 1986
 1-10 3 p. 461-472
12 p.
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846 Determination of orientational order parameters in oriented lipid membrane systems by angle-resolved fluorescence depolarization experiments Kooyman, R.P.H.
 1983
 1-10 3 p. 461-472
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847 Determination of protonation sites in bases from topological rules Fuster, Franck
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848 Determination of rate constants for some reactions of CBr radicals by VUV laser flash photolysis Hellner, L.
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849 Determination of real and imaginary part of χ(3) of thiophene oligomers using the z-scan technique Hein, J.
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850 Determination of the deuteron quadrupole coupling tensor in the photo-excited triplet state of dibromobenzophenone by electron spin echo envelope modulation Prisner, T.
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851 Determination of the dipole moment of thioformaldehyde in the a 3A2 excited state by laser phosphorescence excitation spectroscopy Clouthier, D.J.
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852 Determination of the electric field gradient tensor in ferrous chloride tetrahydrate using a polarized mössbauer source Gibb, T.C.
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853 Determination of the rate constant of reaction of N(4S 3 2 ) with NO2 using resonance fluorescence in a discharge flow system Ono, Yoko
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8 p.
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854 Determinations of bond energies by time-of-flight single-collision chemiluminescence Estler, Ron C.
 1978
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11 p.
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855 Deuteration shift of low temperature dielectric relaxations Gilchrist, J.le G.
 1981
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8 p.
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856 Development of non-local Wigner-like correlation-energy density functionals through coordinate scaling requirements and evaluation of contraint obedience in the construction of density functionals Wilson, Leslie C.
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17 p.
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857 DFT study and IR spectra of hexaphenoxycyclotriphosphazene G 0 c ′ generation phosphorus dendrimer Furer, V.L.
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6 p.
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858 DFT study of ground state proton transfer in 2-pyridone/2-hydroxypyridine–ammonia clusters Esboui, M.
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9 p.
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859 Diamagnetic anisotropy of molecular complexes of 1,3,5-trinitrobenzene with anthracene and carbazole Burzyński, Ryszard
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6 p.
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860 Diatomic dissociation rate theory. I. Angular momentum conservation and impulsive collisions in the low pressure limit Nordholm, Sture
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11 p.
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861 Diatomic dissociation rate theory. II. Extensions and comparison with experiment Schranz, Harold W.
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862 Diatomics-in-molecules study of the photoabsorption spectra of Xe n + clusters Kalus, René
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863 Diatomics-in-molecules study on the stability of the H4 + ion Polák, R.
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864 Dielectric constant of disordered dipoles with steric hindrance Descamps, M.
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6 p.
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865 Dielectric effects of step-increased pressure on the mass- and diffusion-controlled linear chain and network macromolecules growth Wasylyshyn, D.A.
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866 Dielectric properties associated with structural phase transitions observed in tetramethylammonium salt of o-phenylenebis(squaric acid) Yamamura, Shigefumi
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867 Dielectric properties of single crystals of the substituted diacetylene pTS: effect of the solid-state polymerization and phase transitions Nowak, R.
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868 Dielectric relaxation and molecular conformational energy of some arylazo benzothiazine derivatives Kozłowski, M.
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869 Dielectric relaxation in cyano complexes of the K4Me11(CN)6·3 H2O type. I. Ferroelectric behaviour Kołodziej, H.A.
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870 Dielectric relaxation of alcohols by internal rotation Isnard, R.
 1980
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9 p.
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871 Dielectric saturation and dielectric friction on an ion in a polar solvent Hubbard, J.B.
 1982
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6 p.
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872 Dielectric singularities and phase transitions in molecular crystals Munn, R.W.
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8 p.
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873 Dielectric tensor, effective polarizability and local electric field in pyrene crystals Price, A.H.
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 1-10 3 p. 413-419
7 p.
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874 Difference frequency Fermi resonance interface modes in organic multilayer structures Agranovich, V.M.
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10 p.
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875 Differential cross sections for collisions of negative halogen ions and alkali atoms De Vreugd, C.
 1979
 1-10 3 p. 305-314
10 p.
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876 Differential cross sections for elastic scattering and electron detachment in collisions of halogen anions with noble gas atoms De Vreugd, C.
 1982
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14 p.
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877 Differential cross sections for Li+ scattering by N2 molecules Kalinin, A.P.
 1984
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7 p.
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878 Diffraction effects in the differential scattering of Li+ by the rare gases Wijnaendts van Resandt, R.W.
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6 p.
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879 Diffraction undulations in the differential cross sections of H2-Kr calculated for an anisotropic potential Jacobs, Monique
 1977
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7 p.
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880 Diffusion and CIDEP of H and D atoms in solid H2O, D2O and isotopic mixtures Bartels, David M.
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881 Diffusion coefficients of ions in lighter gases in an electric field [Chemical Physics 206 (1996) 9–34] Ferrari, Leonardo
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882 Diffusion-controlled reaction of polymers Doi, Masao
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12 p.
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883 Diffusion-controlled reactions: Analysis of quenched fluorescence decay data Das, Ranjan
 1989
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18 p.
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884 Diffusion-limited binary reactions: the hierarchy of nonclassical regimes for random initial conditions Argyrakis, Panos
 1993
 1-10 3 p. 693-707
15 p.
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885 Diffusion of nitroxide radicals in plastic solids as studied by electron-electron double resonance Kirillov, Sergei T.
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6 p.
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886 Diffusion of n-pentane in the zeolite ZK5 studied by high-temperature configuration-space exploration Saengsawang, O.
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887 Diffusion on lattices with traps: A self-consistent calculation Calef, Daniel F.
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888 Dimensionality control of coupled scattering equations using partitioning techniques Englot, Georgia
 1974
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9 p.
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889 Dipole-bound anions supported by charge-transfer interaction: valence- and dipole-bound anionic states of H3N→BF3 Sawicka, Agnieszka
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890 Dipole moment of cis-glyoxal in the 1B1 electronic state from static and modulated stark spectroscopy Larzilliére, M.
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891 Dipole-phonon coupling and dielectric relaxation Nigmatullin, R.
 1983
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9 p.
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892 Dipole polarizability surfaces of ammonia Špirko, Vladimir
 1990
 1-10 3 p. 343-351
9 p.
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893 Dipole trap model and concentration dependence of charge carrier mobility in disordered organic matrices Novikov, S.V.
 1994
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7 p.
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894 Diradical and zwitterionic intermediates in the excited state Yamaguchi, Kizaschi
 1977
 1-10 3 p. 375-386
12 p.
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895 Direct ab initio molecular dynamics study of the two photodissociation channels of formic acid Kurosaki, Yuzuru
 2005
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896 Direct calculation of complex resonance energies for Al2 electronic predissociation Weon Jang, Hyo
 2003
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897 Direct calculation of transition probabilities between excited states Sengeløv, Peter W.
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898 Direct charge recombination from D+QAQB − to DQAQB in bacterial reaction centers from Rhodobacter sphaeroides containing low potential quinone in the QA site Labahn, A.
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899 Direct determination of interaction potentials from gas viscosity measurements alone Boushehri, A.
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900 Direct determination of pair potential energy function from extended law of corresponding states and calculation of thermophysical properties for H2–He Behnejad, Hassan
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901 Directional dispersion of excitons in anthracene, probed by electron spectroscopy Kunstreich, S.
 1974
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13 p.
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902 Direct numerical integration of coupled equations with non-adiabatic interactions Nguyen-Dang, T.Tung
 1989
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12 p.
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903 Direct observation of the angular distribution of the chemiluminescence from Ba + N2O → BaO + N2 Siegel, Auǵustin
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 1-10 3 p. 265-271
7 p.
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904 Direct observation of torsional levels in Raman spectra of C2H6. 1987
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1 p.
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905 Direct trapping excitation energy transfer from rhodamine B to crystal violet in Langmuir-Blodgett monolayer and stacked multilayer films Ohta, Nobuhiro
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906 Discrimination between hindered rotation and pair formation in phenyl-naphthalene sodium ion pairs by endor in solution von Borczyskowski, C.
 1976
 1-10 3 p. 281-290
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907 Discrimination of impact approximations for velocity and velocity sign autocorrelation functions Burshtein, A.I.
 1996
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7 p.
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908 Disordered surfaces: a smoothed He-target scattering potential for metal atoms adsorbed on metal surfaces Petrella, G.
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9 p.
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909 Dispersed laser-induced fluorescence of molecular ions. Identification of new low-lying electronic states of TiCl+ and TiF+ Focsa, C.
 1999
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910 Dispersion dipoles, quadrupoles and electric-field gradients Fowler, P.W.
 1990
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11 p.
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911 Dispersion of polarizability anisotropy of H2, O2, N2O, CO2, NH3, C2H6, and cyclo-C3H6 and evaluation of isotropic and anisotropic dispersion-interaction energy coefficients Hohm, Uwe
 1994
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912 Dispersive exciton transport in a hopping system with gaussian energy distribution Schnönherr, G.
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913 Dissociation and recombination of a diatomic molecule involving two states which only interact via the atomic species Hogarth, W.L.
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 1-10 3 p. 443-454
12 p.
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914 Dissociation and recombination of a diatomic molecules involving two states which only interact via the atomic species Hogarth, W.L.
 1977
 1-10 3 p. 429-441
13 p.
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915 Dissociation cross sections of silane and disilane by electron impact Perrin, J.
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12 p.
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916 Dissociation of aliphatic hydrocarbons excited by electrons: Translational energy distributions of the excited hydrogen atom Ogawa, Teiichiro
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 1-10 3 p. 465-472
8 p.
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917 Dissociation of ethane by electron impact Winters, Harold F.
 1979
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918 Dissociation of hydrogen sulfide in e-H2S collisions: Translational energy distribution of H* (n = 4) Ogawa, Teiichiro
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 1-10 3 p. 473-478
6 p.
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919 Dissociation of multiply ionized alkanes from methane to n-butane due to electron impact Wang, Pengqian
 2002
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21 p.
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920 Dissociation rate measurements in SO2 + Ar mixtures behind incident shock waves Tyaga Raju, M.
 1980
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6 p.
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921 Dissociative autoionization as a mechanism for the proton formation from methane and methane-d 4 by low energy electron impact Locht, R.
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922 Dissociative excitation of HgX radicals and Hg atoms during collisions of CO+ ions and HgX2/CH3HgX (X=Cl, Br, I) molecules Kushawaha, V.
 1989
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923 Dissociative excitation of K and K+ emission by electron impact on KI molecules Smirnov, Yu.M.
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924 Dissociative excitation of SiH4 by electron impact: emission cross sections for fragment species Tsurubuchi, S.
 1992
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8 p.
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925 Dissociative excitation of SiH4 by electron impact: Emission cross sections for the hydrogen Lyman series Tsurubuchi, S.
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6 p.
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926 Dissociative excitation of SiH4, SiD4, Si2H6 and GeH4 by 0–100 eV electron impact Perrin, J.
 1983
 1-10 3 p. 351-365
15 p.
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927 Dissociative excitation of water by electron impact Beenakker, C.I.M.
 1974
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928 Dissociative excitation of water by metastable argon Snyder, H.L.
 1982
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929 Distorted wave and close coupling calculation of cross sections for H2—inert gas systems, mainly above the rotational threshold Jacobs, Monique
 1980
 1-10 3 p. 427-447
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930 Distribution and conjugation of the π-electrons in the T1 state of some BNC-heterocycles Deeg, F.W.
 1982
 1-10 3 p. 427-436
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931 Distribution function of adsorption energy in relation to the overall adsorption isotherm Cerofolini, G.F.
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932 Distribution functions and equations of state of sticky hard sphere fluids in the percus-yevick approximation Barboy, B.
 1979
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933 Distribution of reaction products (theory). XI. H + F2 Polanyi, J.C.
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934 Docking and electron transfer between cytochrome c2 and the photosynthetic reaction center Aquino, A.J.A.
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935 Does tautomeric equilibrium exist in ortho-nitrosonaphthols? Ivanova, Galya
 2001
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936 Donor–acceptor nonradiative energy transfer mediated by surface plasmons on ultrathin metallic films Jankowski, Dawid
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937 Doppler-broadened Hα line shapes in A dc low-pressure discharge for TiN deposition Sultan, G.
 1988
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938 Doppler-free rotational spectrum of methyl iodide. Nuclear quadrupole, spin-rotation and nuclear shielding tensors of iodine Boucher, D.
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8 p.
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939 Doppler spectroscopy of hydrogen Balmer lines in a hollow cathode glow discharge in argon–methane and argon–acetylene mixture Šišović, N.M.
 2009
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940 Double-channel excitation in the X-ray absorption spectrum of Fe3+ water solutions Benfatto, Maurizio
 2002
 1-10 3 p. 441-450
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941 Double-ionization auger satellites obtained by the green's function method Liegener, Christoph-Maria
 1983
 1-10 3 p. 397-403
7 p.
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942 Double ionization of methane Siegbahn, Per E.M.
 1982
 1-10 3 p. 443-452
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943 Double photoionization of SO2 and fragmentation spectroscopy of SO2 ++ studied by a photoion-photoion coincidence method Dujardin, Gérald
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 1-10 3 p. 339-353
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944 Doublet—quartet transitions in nitric oxide by low-energy variable-angle electron scattering Frueholz, Robert P.
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10 p.
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945 Dual emission of chalcone-analogue dyes emitting in the red region Fayed, Tarek A
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946 Dual fluorescence of 9-anthryl-substituted oligothiophenes in nonpolar environment Emele, P.
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947 Dual fluorescence of the isoquinolinium cation in methanol: time-resolved emission spectra and semiempirical calculations Welland, A.D.
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948 3d-Valence orbital structure of Zn-phthalocyanine; results from photoemission experiments and cluster calculations Koch, E.E.
 1981
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949 DVM-Xα calculations on the ionization potentials of MX k+1 − complex anions and the electron affinities of MX k+1 “superhalogens” Gutsev, G.L.
 1981
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7 p.
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950 Dynamical competition between reactive and reactive detachment channels in X− + H2 colliding systems (X = Cl, Br, I) Durup-Ferguson, M.
 1987
 1-10 3 p. 389-397
9 p.
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951 Dynamical processes in excited states of Cr3+ probed by the Raman effect Halperin, B.
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952 Dynamical properties of carbonyl sulphide diluted in argon at different densities. A molecular dynamics investigation Dellis, D.
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953 Dynamical study of competing reactions in the CN−-H2 collisional system by a multicoincident detection Goudjil, K.
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954 Dynamical theory of proton tunneling transfer rates in solution: general formulation Borgis, Daniel
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955 Dynamic aspects of electronic excitation Rama Krishna, M.V.
 1988
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7 p.
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956 Dynamic constrints associated with the formation of SiS(a 3Σ+) from the Si—OCS chemiluminescent reaction Gole, James L.
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957 Dynamic interactions of hydrogen bonds in oxalic acid crystals Witkowski, Andrzej
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958 Dynamic perturbation effects upon the circular dichroism intensity induced in an aggregate of dye chromophores bound to biopolymers Kamiya, Mamoru
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959 Dynamic polarizabilities and raman intensities of CO, N2, HCl and Cl2 Oddershede, Jens
 1982
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960 Dynamics of a polymer matrix probed by the ring closure of merocyanine Richert, R.
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961 Dynamics of charge transfer chemical reactions in a polar medium within the scope of the Born-Kirkwood-Onsager model Basilevsky, M.V.
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962 Dynamics of electronic polarization in molecular crystals Čápek, Vladislav
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963 Dynamics of ion—molecule processes: A crossed-beam study of the reaction B+(3P) + H2 → BH+ + H Freidrich, B.
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964 Dynamics of linear exchange reactions. Quasi-classical model of high-energy vibrational inversion Basilevsky, M.V.
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965 Dynamics of reactions of O(3P) atoms with 1-alkynes as studied by a CO laser resonance absorption technique Shaub, W.M.
 1980
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966 Dynamics of selected rovibronic eigenstates in the V system of carbon disulfide 12,13CS2 Bitto, H.
 1994
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12 p.
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967 Dynamics of the electronically chemiluminescent Ca + X2(F2, Cl2, Br2) Menzinger, Michael
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968 Dynamics of the hydrogen bond: two-dimensional model and isotope effects Sokolov, N.D.
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969 Dynamics of the reaction of atomic fluorine with azomethane: An IR-chemiluminescence study Schwanke, U.
 1989
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970 Dynamics of the reactions Cl+HBr→HCl+Br and Br+Hl→HBr+I. A quasiclassical trajectory study Broida, Michael
 1989
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971 Dynamics of the solute-solvent interactions of electronically excited 4-N,N-dimethylaminobenzonitrile (DMABN) and of 3,5,N,N-tetramethyl-4-aminobenzonitrile (TMABN) dissolved in viscous alcohols and in a viscous nitrile Weisenborn, Petra C.M.
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972 Dynamics of vibrational energy transfer in polyatomic molecules. A model calculation Tzidoni, E.
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973 Dynamics of vibrationally inelastic collisions in H+−H2: comparing quantum calculations with experiments Gianturco, Franco A.
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974 Dynamics of [Zn(D2O)6]2+ in [Zn(D2O)6][SiF6] crystal as studied by 1D, 2D spectra and spin-lattice relaxation time of 2H NMR Araya, Takashi
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975 Dynamic stability ratio of a colloidal dispersion Kuo, Yung-Chih
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976 Editorial board 2003
 1-10 3 p. IFC-
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977 Editorial board 2004
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978 Editorial board 2005
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979 Editorial board 2004
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980 Effective core potential calculations on small molecules containing transition metal atoms Gropen, O.
 1982
 1-10 3 p. 459-464
6 p.
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981 Effective core potential calculations on the NiH4 2− ion as a test case for studying rotational barriers Gropen, O.
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982 Effective molecular polarizabilities in some aromatic hydrocarbon crystals Bounds, P.J.
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983 Effective polarizabilities in absorbing regions of molecular crystals Munn, R.W.
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984 Effective vibrational potentials of bromine in argon. Monte Carlo simulation in a mixed ensemble Freasier, B.C.
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985 Effect of changing reagent energy. IX. Dependence of reaction rate on rotational excitation in HX(J:ν) + Na → H + NaX (X = F, Cl) Blackwell, B.A.
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986 Effect of collisions on the orientational relaxation of photofragments Blokhin, A.P.
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987 Effect of guest-host interaction on spectra and relaxation dynamics of matrix-isolated Br2 B3Π0+ u, A3Π1u, and A′3Π2u Langen, Jürgen
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988 Effect of intramolecular hydrogen bonding on the empty level structure of gas-phase salicylaldehyde:electron affinities and anion yield upon electron impact Modelli, Alberto
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9 p.
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989 Effect of orientational relaxation on optical polarization of electron spins in the gas phase Sukhenko, S.A.
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990 Effect of pressure on the coexistence curve of methanol+n-heptane in the near critical region Aizpiri, Arturo G.
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991 Effect of rotational relaxation on the intensity and polarization of fluorescence emission caused by sequential two-photo excitation Sato, Hiroyasu
 1984
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992 Effect of solvent polarizability on dual fluorescence of EE-1-phenyl,4-(1′-pyrenyl)-1,3-butadiene Marri, Elena
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993 Effect of strong excitation of the CO2 asymmetric mode on transport properties Chikhaoui, A.
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994 Effect of temperature on the infrared band shapes and reorientational and vibrational relaxation of liquid acetonitrile Sugitani, Atsushi
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995 Effect of the angular dependence of the barrier height on the features of the F+H2 reaction Azriel, Vladimir M.
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14 p.
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996 Effect of the vibrational nonequilibrium on the characteristics of a gas flow of a reacting N2O+CO+(H2) mixtures Skrebkov, O.V.
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997 Effects of applied electric fields on the quantum yields for the initial electron transfer steps in bacterial photosynthesis II. Dynamic Stark effect Lao, Kaiqin
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998 Effects of cation siting and spin–spin interactions on the electron paramagnetic resonance (EPR) of Cu2+ exchanged X Faujasite zeolite Kowenje, Chrispin O.
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999 Effects of competitive hydrogen halide elimination on CO production from the reaction of O(3P) atoms with propargyl chloride and bromide Fujimoto, G.T.
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 1-10 3 p. 399-403
5 p.
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1000 Effects of dynamical couplings in hydrogen bond systems in the polarized IR spectra of 3-hydroxybenzaldehyde and 4-hydroxybenzaldehyde crystals Flakus, Henryk T.
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