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nr titel auteur tijdschrift jaar jaarg. afl. pagina('s) type
1 Ab initio and density functional theory calculation of the structure and vibrational properties of n-vertex closo-carboranes, n=5, 6 and 7 Salam, A
 2001
 1-10 1-2 p. 17-30
14 p.
 artikel
2 Ab initio calculation of phosphorus NMR chemical shifts in the gauge including atomic orbital method Chesnut, D.B.
 1991
 1-10 1-2 p. 105-110
6 p.
 artikel
3 Ab initio calculation of the equilibrium geometry and the 13C, 17O and 27A1 NMR chemical shielding tensors of the system Al3+/CO Weller, Th.
1-10 1-2 p. 155-159
 artikel
4 Ab initio calculation of the nuclear quadrupole coupling constants of rovibrational levels in the X2 Σ + state of all isotopic variants of LiH− Vojtík, J.
 1995
 1-10 1-2 p. 47-53
7 p.
 artikel
5 Ab initio calculations and mechanism of two proton migration reactions of ethoxy radical Zhang, Yue
 2005
 1-10 1-2 p. 109-116
8 p.
 artikel
6 Ab initio calculations as first step towards the structure of free radicals. I. geometries and energies of the ethyl analogs NH2CH3 + and CH2NH3 + Bonazzola, L.
 1982
 1-10 1-2 p. 145-153
9 p.
 artikel
7 Ab initio calculations of potential energy surfaces for complex formation reactions BeH2 + H− → BeH− 3 and BeH2 + LiH → LiBeH3 Boldyrev, A.I.
 1980
 1-10 1-2 p. 205-212
8 p.
 artikel
8 Ab initio calculations of radiative transition probabilities in the X1σ+ state of SiO and the X 2σ+and A 2 Π states of SiO+ Werner, Hans-Joachim
 1982
 1-10 1-2 p. 169-178
10 p.
 artikel
9 AB initio calculations of the OHH2 potential energy surface Kochanski, E.
 1981
 1-10 1-2 p. 217-225
9 p.
 artikel
10 Ab initio calculations of the potential-energy surface of the NeH2 van der Waals molecule Wormer, P.E.S.
 1983
 1-10 1-2 p. 1-12
12 p.
 artikel
11 Ab initio calculations on the electronic spectrum of ethane Buenker, Robert J.
 1975
 1-10 1-2 p. 56-67
12 p.
 artikel
12 Ab initio calculations on the excited states of π-systems. II. Valence excitations in diacetylene Karpfen, Alfred
 1986
 1-10 1-2 p. 91-102
12 p.
 artikel
13 Ab initio calculations on the excited states of π-systems. I. Valence excitations in acetylene Lischka, Hans
 1986
 1-10 1-2 p. 77-89
13 p.
 artikel
14 Ab initio calculations on the one- and two-photon electronic transitions of cyclopentadiene, spirononatetraene, 1,4-cyclo-hexadiene, Dewar benzene, norbornadiene, and barrelene Galasso, V.
 1991
 1-10 1-2 p. 13-23
11 p.
 artikel
15 Ab initio calculations on the one- and two-photon electronic transitions of the conjugated isomers of benzene Galasso, V.
 1993
 1-10 1-2 p. 171-178
8 p.
 artikel
16 Ab-initio CI calculations of the C1s and Cl1s and 2p core excitation spectra of the freon molecules: CCl4, CFCl3, CF2Cl2 and CF3Cl Fronzoni, G.
 1998
 1-10 1-2 p. 21-42
22 p.
 artikel
17 Ab initio CI calculations on the PE and VUV spectra of hydrogen peroxide Chevaldonnet, C.
 1986
 1-10 1-2 p. 55-61
7 p.
 artikel
18 Ab initio evaluation of the five-photon ionization cross sections of nitric oxide Cremaschi, Pietro
 1981
 1-10 1-2 p. 85-93
9 p.
 artikel
19 Ab initio MRD-CI potential surfaces for the low-lying states of the NH+ 2 molecular ion Peyerimhoff, Sigrid D.
 1979
 1-10 1-2 p. 167-176
10 p.
 artikel
20 Ab initio potentials for states of XeI, XeI− and XeI+ Hoffman, Gerald J.
 2009
 1-10 1-2 p. 68-74
7 p.
 artikel
21 Ab initio potential surfaces for NeHe2 + in the “frozen orbital” approximation Schmidt, H.M.
 1978
 1-10 1-2 p. 219-230
12 p.
 artikel
22 Ab initio quantum-chemical study of the unimolecular pyrolysis mechanisms of fluoroformic and chloroformic acid Francisco, J.S.
 1991
 1-10 1-2 p. 89-98
10 p.
 artikel
23 Ab initio quasidiabatic states for the reaction N + CH → NC + H Thürwächter, Rolf
 1997
 1-10 1-2 p. 33-44
12 p.
 artikel
24 Ab initio studies of the electronic structures of LiOH− and Li2O− Blickensderfer, R.P.
 1979
 1-10 1-2 p. 193-199
7 p.
 artikel
25 Ab initio studies on the electronic structure of FeOH Cao, Xiaoyan
 2005
 1-10 1-2 p. 203-208
6 p.
 artikel
26 Ab initio studies on the electronic structure of the FSO radical Sakai, Shogo
 1980
 1-10 1-2 p. 33-38
6 p.
 artikel
27 Ab initio study of CaO. The importance of atomic correlation and a bondlength question England, Walter B.
 1980
 1-10 1-2 p. 1-21
21 p.
 artikel
28 Ab initio study of molecular vibrations in the X2Σ+, A2Π, B2Σ+, and C2Σ+ states of CS+ and the vibrational structure in the photoelectron spectrum of CS Honjou, Nobumitsu
 2008
 1-10 1-2 p. 128-134
7 p.
 artikel
29 Ab initio study of multiphoton absorption properties of methane, ethane, propane, and butane Galasso, V.
 1992
 1-10 1-2 p. 189-197
9 p.
 artikel
30 Ab initio study of structural and optical response properties of excess-electron lithium-hydride and sodium-fluoride clusters Bonačić-Koutecký, V.
 1996
 1-10 1-2 p. 313-341
29 p.
 artikel
31 Ab initio study of the amino group twisting and wagging reaction paths in the intramolecular charge transfer of 4-(N,N-dimethylamino)benzonitrile Sudholt, Wibke
 1999
 1-10 1-2 p. 9-18
10 p.
 artikel
32 Ab initio study of the cyclic isomers of N2S4 Chandler, Graham S.
 1995
 1-10 1-2 p. 169-181
13 p.
 artikel
33 Ab initio study of the equilibrium conformation of the ArCO+ ion Weitzel, Karl-Michael
 1998
 1-10 1-2 p. 43-49
7 p.
 artikel
34 Ab initio study of the HNC → HCN isomerization. II. Calculation of the isomerization rate constant Peric, Miljenko
 1984
 1-10 1-2 p. 85-103
19 p.
 artikel
35 Ab initio study of the hydration complexes of HCO− 3 Jean, Yves
 1980
 1-10 1-2 p. 95-103
9 p.
 artikel
36 Ab initio study of the Li( 2 S)–H2(X 1Σ g + ) van der Waals complex Lukeš, Vladimı́r
 2001
 1-10 1-2 p. 1-8
8 p.
 artikel
37 Ab initio study of the singlet–triplet relative stability of 2,6-dibromo-2′,6′-bistrifluoromethyl-diphenylmethylene Rodrı́guez, Elena
 2004
 1-10 1-2 p. 157-164
8 p.
 artikel
38 Ab initio study of the singlet—triplet splitting in simple models for dichloro- and difluoro-bridged Cu(II) dimers Broer, R.
 1986
 1-10 1-2 p. 103-111
9 p.
 artikel
39 Ab initio theoretical optical rotations of small molecules Polavarapu, Prasad L.
 1999
 1-10 1-2 p. 1-8
8 p.
 artikel
40 About the singular behavior of the ionic condensation of sodium chondroitin sulfate: Conductivity study in water and water–dioxane mixture M’halla, Jalel
 2006
 1-10 1-2 p. 10-24
15 p.
 artikel
41 Absolute cross-section measurements for collisional destruction of He Rydberg atoms and single electron capture of He+ ions in collision with SF6 Martínez, H.
 1995
 1-10 1-2 p. 193-198
6 p.
 artikel
42 Absolute oscillator strenghts for the valence-shell photoabsorption (2–200 eV) and the molecular and dissociative photoionization (11–80 eV) of nitrogen dioxide Au, Jennifer W.
 1997
 1-10 1-2 p. 109-126
18 p.
 artikel
43 Absolute oscillator strengths for photoabsorption and the molecular and dissociative photoionization of nitric oxide Iida, Y.
 1986
 1-10 1-2 p. 211-225
15 p.
 artikel
44 Absolute oscillator strengths for the photoabsorption of silane in the valence and Si 2p and 2s regions (7.5–350 eV) Cooper, Glyn
 1995
 1-10 1-2 p. 293-306
14 p.
 artikel
45 Absolute oscillator strengths for the valence and inner (P 2p,2s) shell photoabsorption, photoionization, and ionic photofragmentation of PF3 Au, Jennifer W.
 1997
 1-10 1-2 p. 135-149
15 p.
 artikel
46 Absolute photoabsorption and photoionization studies of methyl bromide using dipole electron impact and synchrotron radiation PES techniques Olney, Terry N.
 1997
 1-10 1-2 p. 127-149
23 p.
 artikel
47 Absolute photoabsorption cross section of CCl4 in the energy range 6–250 eV Ho, Grace H
 1998
 1-10 1-2 p. 101-111
11 p.
 artikel
48 Absolute rate constants for the reactions of CH(X2II) with NO, N2O, NO2 and N2 at room temperature Wagal, S.S.
 1982
 1-10 1-2 p. 61-70
10 p.
 artikel
49 Absolute rate constants of R+NO(+M)→RNO(+M) reactions. II. Measurements for R=C2F5, i-C3F7, n-C4F9, and t-C4F9 at T = 295 K Vakhtin, A.B.
 1992
 1-10 1-2 p. 1-15
15 p.
 artikel
50 Absorption and emission spectroscopic characterisation of the LOV2-His domain of phot from Chlamydomonas reinhardtii Holzer, W.
 2005
 1-10 1-2 p. 79-91
13 p.
 artikel
51 Absorption and emission spectroscopic characterization of Ir(ppy)3 Holzer, W.
 2005
 1-10 1-2 p. 93-102
10 p.
 artikel
52 Absorption and emission spectroscopic characterization of platinum-octaethyl-porphyrin (PtOEP) Bansal, A.K.
 2006
 1-10 1-2 p. 118-129
12 p.
 artikel
53 Absorption by dissociative continua in condensed matter: H2O in rare gas and ice matrices Chergui, M.
 1994
 1-10 1-2 p. 153-162
10 p.
 artikel
54 Absorption investigation of anthracene vapour Dygdała, R.St.
 1980
 1-10 1-2 p. 51-62
12 p.
 artikel
55 Absorption spectra of hydrogen cyanide and deuterium cyanide in the 130-80 nm range Nagata, Takashi
 1981
 1-10 1-2 p. 45-53
9 p.
 artikel
56 Absorption spectra of Na and Na2 in inert-gas matrices Hormes, J.
 1982
 1-10 1-2 p. 29-37
9 p.
 artikel
57 Absorption spectroscopy of charged excitations in α-sexithiophene: evidence for charge conjugation symmetry breaking Lane, P.A.
 1996
 1-10 1-2 p. 229-234
6 p.
 artikel
58 Absorption spectrum and crystal-field analysis of U4+ ions in CsCdBr3 single crystals Karbowiak, M.
 2005
 1-10 1-2 p. 135-145
11 p.
 artikel
59 Absorption spectrum of bismuth in the vacuum ultraviolet. Observation of new transitions to Rydberg states Damany, Nicole
 1981
 1-10 1-2 p. 157-163
7 p.
 artikel
60 A calculation of the temperature dependent radiationless decay of the propynal triplet state T1 Russegger, P.
 1981
 1-10 1-2 p. 205-213
9 p.
 artikel
61 Accurate calculation of the electron affinities of the group-13 atoms Arnau, Ferran
 1992
 1-10 1-2 p. 77-84
8 p.
 artikel
62 Accurate density-functional calculation of core-electron binding energies with a scaled polarized triple-zeta basis set. (II). Confirmation with a total of seventy-six cases Pulfer, Mark
 1997
 1-10 1-2 p. 91-98
8 p.
 artikel
63 Accurate density-functional calculation of core-electron binding energies with a scaled polarized triple-zeta basis set. (III). Extension to open-shell molecules Hu, Ching-Han
 1997
 1-10 1-2 p. 99-104
6 p.
 artikel
64 Accurate Gaussian basis sets for second-row atoms and ions generated with the improved generator coordinate Hartree–Fock method de Castro, E.V.R.
 1999
 1-10 1-2 p. 1-7
7 p.
 artikel
65 Accurate static electric dipole polarizability calculations of +3 charged lanthanide ions Clavaguéra, C.
 2005
 1-10 1-2 p. 169-176
8 p.
 artikel
66 A CI investigation of the core ionized states derived from 1A1 and 3B1 methylene Clark, D.T.
 1980
 1-10 1-2 p. 11-21
11 p.
 artikel
67 A classical model of vibronic coupling: The ultrafast non-radiative decay via a conical intersection Meyer, H.-D.
 1983
 1-10 1-2 p. 199-205
7 p.
 artikel
68 A combined experimental and theoretical investigation of C2H2+ 2 electronic-state energies Andrews, S.R.
 1992
 1-10 1-2 p. 69-76
8 p.
 artikel
69 A comparative icMRCI study of some NO+, NO and NO− electronic ground state properties Polák, R
 2004
 1-10 1-2 p. 73-83
11 p.
 artikel
70 A comparative site-selective fluorescence study of ladder-type para-phenylene oligomers and oligo-phenylenevinylenes Pauck, Thilo
 1996
 1-10 1-2 p. 219-227
9 p.
 artikel
71 A comparative study of hole transport in vapor-deposited molecular glasses of N,N′,N″,N‴-tetrakis(4-methylphenyl)-(1,1′-biphenyl)-4,4′-diamine and N,N′-diphenyl-N,N′-bis(3-methylphenyl)-(1,1′-biphenyl)-4,4′-diamine Heun, S.
 1995
 1-10 1-2 p. 245-255
11 p.
 artikel
72 A comparative study of theoretical methods for calculating forbidden transitions Kemper, M.J.H.
 1981
 1-10 1-2 p. 245-252
8 p.
 artikel
73 A comparative theoretical study of photoionization cross sections and angular distributions Thiel, Walter
 1981
 1-10 1-2 p. 227-243
17 p.
 artikel
74 A comparison between the rigid and flexible model of cyclohexane in the plastic phase by molecular dynamic simulations Cardini, Gianni
 1995
 1-10 1-2 p. 101-108
8 p.
 artikel
75 A comparison of neutron scattering studies and computer simulations of polymer melts Smith, G.D.
 2000
 1-10 1-2 p. 61-74
14 p.
 artikel
76 A comparison of the electronic structure of H2S, Li2S and Na2S Hinchliffe, A.
 1975
 1-10 1-2 p. 158-165
8 p.
 artikel
77 A comparison of the ethylene ionization potentials obtained by the Green's function method and from CI calculations Thunemann, Karl-Heinz
 1978
 1-10 1-2 p. 35-40
6 p.
 artikel
78 A computationally simple theory of multiple photon excitation of polyatomic molecules: Dependence of the energy distribution on molecular properties Kuzmin, M.V.
 1983
 1-10 1-2 p. 199-210
12 p.
 artikel
79 A computational study of dimers and trimers of nitrosyl hydride: Blue shift of NH bonds that are involved in H-bond and orthogonal interactions Solimannejad, Mohammad
 2009
 1-10 1-2 p. 1-7
7 p.
 artikel
80 A computational study on the adsorption and OH initiated photochemical and photocatalytic primary oxidation of aniline Wahab, Hilal S.
 2009
 1-10 1-2 p. 171-176
6 p.
 artikel
81 A conformational study of bicyclo[3.1.0] hexane and of the 3-bicyclo[3.1.0]hexyl carbonium ion: an AB initio SCF investigation Mjöberg, P.J.
 1978
 1-10 1-2 p. 201-208
8 p.
 artikel
82 A contribution to non-equilibrium chemical kinetics Temkin, A.Ya.
 1984
 1-10 1-2 p. 105-114
10 p.
 artikel
83 Acousitc anomaly of critical binary mixtures of nitrobenzene/n-heptane and nitroethane/3-methylpentane and the universality of acoustic anomaly of critical fluids Tanaka, Hajime
 1985
 1-10 1-2 p. 281-290
10 p.
 artikel
84 Acoustic anomaly in a critical binary mixture of aniline and cyclohexane at low and ultrasonic frequencies Tanaka, Hajime
 1982
 1-10 1-2 p. 223-231
9 p.
 artikel
85 A crude adiabatic computation of the photoelectron spectrum of CH4 Marinelli, Francis
 1990
 1-10 1-2 p. 219-223
5 p.
 artikel
86 Acrylonitrile versus allyl cyanide: The role of electronic conjugation in high electric field condition Raynaud, Michèle
 1991
 1-10 1-2 p. 39-49
11 p.
 artikel
87 A crystal orbital study on the one-dimensional metallomacrocycles tetraza porphin polysiloxane and tetraza porphin polygermyloxane Böhm, Michael C.
 1984
 1-10 1-2 p. 17-30
14 p.
 artikel
88 Activated rate processes in the multidimensional case. Consideration of recrossings in the multidimensional Kramers problem with anisotropic friction Berezhkovskii, A.M.
 1991
 1-10 1-2 p. 141-155
15 p.
 artikel
89 Activation energies from cw laser induced reactions Zitter, R.N
 1980
 1-10 1-2 p. 107-115
9 p.
 artikel
90 Activationless nonradiative decay in rhodamines: Role of NH and lower frequency vibrations in solvent kinetic isotope effects Ferreira, José A.B.
 2006
 1-10 1-2 p. 197-208
12 p.
 artikel
91 Activation threshold for vibrational excitation in K-N2 collisions Ross, U.
 1981
 1-10 1-2 p. 95-107
13 p.
 artikel
92 Active nitrogen luminescence studies at liquid helium temperatures Gordon, E.B.
 1981
 1-10 1-2 p. 35-41
7 p.
 artikel
93 Adapted Gaussian basis sets for closed-shell atoms from samarium to nobelium generated with the generator coordinate Dirac-Fock method Jorge, F.E.
 1997
 1-10 1-2 p. 45-51
7 p.
 artikel
94 Adiabatic calculations and properties of the He2 + molecular ion Ackermann, J.
 1991
 1-10 1-2 p. 75-87
13 p.
 artikel
95 A dipolar chain model for the electrostatics of transmembrane ion channels Partenskii, Michael B.
 1991
 1-10 1-2 p. 125-131
7 p.
 artikel
96 A dissociative electroionization study of nitrous oxide. The no+ and N2 + dissociation channels Olivier, J.L.
 1982
 1-10 1-2 p. 201-211
11 p.
 artikel
97 Adsorption of 2-amino-6-methylbenzothiazole on colloidal silver particles: Quantum chemical calculations and surface enhanced Raman scattering study Chowdhury, Joydeep
 2006
 1-10 1-2 p. 172-183
12 p.
 artikel
98 Adsorption of dimethyl sulfide and methanethiolate on Ag and Au surfaces: Surface-enhanced Raman scattering and density functional theory calculation study Lim, Jong Kuk
 2006
 1-10 1-2 p. 245-252
8 p.
 artikel
99 Adsorption of ethane and ethene in Na–Y studied by inelastic neutron scattering and computation Henson, N.J
 2000
 1-10 1-2 p. 111-124
14 p.
 artikel
100 Adsorption of methanol in zeolite, gallosilicate and SAPO catalysts Limtrakul, Jumras
 1995
 1-10 1-2 p. 79-87
9 p.
 artikel
101 A dynamical Lie algebraic treatment for the optical nonlinearity of disubstituted benzenes Zhao, Xian
 2003
 1-10 1-2 p. 21-32
12 p.
 artikel
102 A field-cycling NMR relaxometry investigation of proton tunnelling in a partially disordered system of hydrogen bonds Brougham, D.F.
 1999
 1-10 1-2 p. 189-199
11 p.
 artikel
103 A frequency-resolved cavity model (FRCM) for treating equilibrium and non-equilibrium solvation energies Basilevsky, M.V.
 1998
 1-10 1-2 p. 189-199
11 p.
 artikel
104 A frequency-resolved cavity model (FRCM) for treating equilibrium and non-equilibrium solvation energies Newton, M.D.
 1998
 1-10 1-2 p. 201-210
10 p.
 artikel
105 A full quantum study of the vibrational predissociation mechanisms in Ar3 + cluster Buonomo, E.
 1997
 1-10 1-2 p. 71-81
11 p.
 artikel
106 A further analysis of VV transfer rates for high-lying states of CO DePristo, Andrew E.
 1981
 1-10 1-2 p. 243-247
5 p.
 artikel
107 A high energy exciton in polydiacetylene chains, involving electrons localized on the triple bond Berréhar, J.
 2004
 1-10 1-2 p. 129-136
8 p.
 artikel
108 A hybrid quantum/classical correlation function approach to surface diffusion Taniike, Toshiaki
 2004
 1-10 1-2 p. 159-168
10 p.
 artikel
109 AIM interpretation of strain energy of oxiranes Vila, Antonio
 2003
 1-10 1-2 p. 125-135
11 p.
 artikel
110 AIM study on the influence of fluorine atoms on the alkyl chain Quiñónez, Patricia B.
 2003
 1-10 1-2 p. 227-236
10 p.
 artikel
111 A joint theoretical and kinetic investigation on the fragmentation of (N-halo)-2-amino cycloalkanecarboxylates Queralt, Joaquim J
 2002
 1-10 1-2 p. 1-14
14 p.
 artikel
112 A Keilson–Storer type collision kernel for rotation–translation coupling Gelin, M.F.
 1999
 1-10 1-2 p. 265-273
9 p.
 artikel
113 All-valence-electron configuration mixing calculations for the characterization of the 1(π, π*) states of ethylene Buenker, Robert J.
 1975
 1-10 1-2 p. 75-89
15 p.
 artikel
114 A matrix-isolation infrared spectroscopic study of the reactions of methane and methanol with ozone Lugez, C.
 1994
 1-10 1-2 p. 129-146
18 p.
 artikel
115 A measurement of formation rates and lifetimes of intermediate complexes in reversible chemical reactions involving hydrogen atoms Gordon, E.B.
 1978
 1-10 1-2 p. 79-89
11 p.
 artikel
116 A method for determination of the refractive index in a region of absorption. Anomalous dispersion of CS2 in the UV range Davidsson, Å.
 1975
 1-10 1-2 p. 223-230
8 p.
 artikel
117 A method for determining “good” action-angle variables and semiclassical eigenvalues in nonseparable systems Schatz, George C.
 1978
 1-10 1-2 p. 239-251
13 p.
 artikel
118 A mid infrared study of dynamic processes in iodine–pyridine charge transfer complexes Tassaing, T.
 1998
 1-10 1-2 p. 71-82
12 p.
 artikel
119 Amino acid chemistry in solution: structural properties and vibrational dynamics of serine using density functional theory and a continuum solvent model Ramı́rez, F.J.
 2004
 1-10 1-2 p. 85-96
12 p.
 artikel
120 A model for multiphoton ionisation mass spectroscopy with application to benzene Dietz, W.
 1982
 1-10 1-2 p. 105-127
23 p.
 artikel
121 A modified model for quenching and electronic—vibrational energy transfer Barker, John R.
 1976
 1-10 1-2 p. 175-188
14 p.
 artikel
122 A molecular dynamics study of amorphous selenium Balasubramanian, S.
 1992
 1-10 1-2 p. 131-137
7 p.
 artikel
123 A molecular orbital study of pyridine and the rotation about the CC bond in 4-vinylpyridine Bock, Charles W.
 1986
 1-10 1-2 p. 107-116
10 p.
 artikel
124 A molecular orbital study of the electronic structure of Li2O Hinchliffe, A.
 1975
 1-10 1-2 p. 166-170
5 p.
 artikel
125 A molecular orbital study on the interaction of dinitrogen with transition metal atoms Itoh, H.
 1981
 1-10 1-2 p. 149-156
8 p.
 artikel
126 A Monte Carlo analysis of the elastic incoherent neutron scattering data in hydrated azurin Paciaroni, Alessandro
 2000
 1-10 1-2 p. 39-45
7 p.
 artikel
127 A Monte Carlo simulation of nutrient diffusion and reaction in immobilized cell systems Yari, Bahman
 2006
 1-10 1-2 p. 34-40
7 p.
 artikel
128 A MRCI study of the low-lying electronic states of the BeAl molecule Ribas, Vladir W.
 2006
 1-10 1-2 p. 295-300
6 p.
 artikel
129 An AB initio configuration interaction study of cis and trans ground-state hoco radical using localized orbitals: Structural analysis or correlation effects McLean, A.D.
 1985
 1-10 1-2 p. 25-41
17 p.
 artikel
130 An ab initio model for handling the Renner–Teller effect in tetra-atomic molecules. I. Introduction of coordinates and the Hamiltonian Perić, Miljenko
 2006
 1-10 1-2 p. 60-72
13 p.
 artikel
131 An ab initio model for handling the Renner–Teller effect in tetra-atomic molecules. II. Study of the crossing of potential surfaces Perić, Miljenko
 2006
 1-10 1-2 p. 73-81
9 p.
 artikel
132 An AB initio molecular orbital study of the ammonium radical McMaster, Blair N.
 1982
 1-10 1-2 p. 131-143
13 p.
 artikel
133 An ab initio molecular orbital study of the electronic spectrum and dissociation features of Li2F Cao, Zexing
 1999
 1-10 1-2 p. 209-213
5 p.
 artikel
134 An ab initio SCF calculation of the polarizability tensor, polarizability derivatives and Raman scattering activities of the water-dimer molecule Swanton, David J.
 1984
 1-10 1-2 p. 69-75
7 p.
 artikel
135 An ab initio study of relationships between bond lengths and the harmonic and anharmonic cross-coupling constants involving the double bonds in hetero-atom substituted conjugated dienes Bock, Charles W.
 1982
 1-10 1-2 p. 179-190
12 p.
 artikel
136 An ab initio study of the adsorption of CO on a Zn4O4 cluster with wurtzite-like structure Shou-heng, Shi
 2003
 1-10 1-2 p. 183-195
13 p.
 artikel
137 An ab initio study of the electronic spectrum of Zn2 including spin–orbit coupling Ellingsen, K.
 2005
 1-10 1-2 p. 35-44
10 p.
 artikel
138 An AB initio study of the geometry of the CC(H) group the f CC2 stretching force constant, and the f CC,inCC coupling constant in conjugated mono-substituted carbonyl compounds Bock, Charles W.
 1982
 1-10 1-2 p. 143-154
12 p.
 artikel
139 An alternative approach for ab initio fitted potentials: The n-pentane/silicalite-1 system Loisruangsin, A.
 2008
 1-10 1-2 p. 1-12
12 p.
 artikel
140 Analysis of a nonlinear optical response of CN− ions adsorbed on metal electrode: tentative interpretation by means of ab initio molecular calculations Tadjeddine, M.
 1999
 1-10 1-2 p. 39-50
12 p.
 artikel
141 Analysis of powder EPR and ENDOR spectra of the biphenyl radical cation on H-ZSM-5 zeolite, silica gel and in CFCl3 matrix Erickson, Roland
 1995
 1-10 1-2 p. 89-99
11 p.
 artikel
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145 Analysis of the structural and vibrational properties of RNA building blocks by means of neutron inelastic scattering and density functional theory calculations Gaigeot, Marie-Pierre
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149 Analytical expressions for the vibrational static second hyperpolarizability of polyacetylene Chou, Chia-Chun
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161 A new insight into the mechanism of intermolecular forces Power, E.A.
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164 An examination of the structure and inversion barrier for lithium and sodium phosphide Francisco, J.S.
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171 Angle-resolved photoelectron spectroscopy of formaldehyde and methanol Keller, P.R.
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175 Angular momentum state mixing and quenching of n=3 atomic hydrogen fluorescence Preppernau, B.L
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177 Anharmonic vibration-vibration pumping in nitric oxide by resonant IR-laser irradiation Dünnwald, H.
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178 An incoherent exciton scattering model for prediction of dimer bandshapes Lami, Alessandro
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179 An inelastic neutron scattering study of CsHCl2 and CsHClBr??? Howard, Joseph
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180 An infrared study of lithium-ammonia and potassium-ammonia complexes trapped in solid argon Loutellier, A.
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181 An investigation of basis sets and basis set superposition error in transition metals using frozen core and frozen orbital techniques Pettersson, L.
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182 An investigation of the low-frequency torsional modes of trans-stilbene using Raman spectroscopy Bree, A.
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183 Anisotropic double exchange in mixed-valence dimeric clusters of transition metal ions Belinsky, Moisey I.
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184 Anisotropic ESR spectra of orbitally degenerate radicals. The pentachlorocyclopentadienyl radical Bachmann, P.
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185 An MC SCF study of the reaction C3H7 + → C3H5 + + H2 Almlöf, Jan
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186 Anomalous defect diffusion near the glass transition Bendler, John T.
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190 Anomalous relaxation kinetics of biological lattice–ligand binding models Frey, Erwin
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194 A photodynamical model for the excited state electron transfer of bianthryl and related molecules Kang, Tai Jong
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197 Application of normal mode analysis in molecular dynamics simulation of model alkanes Cardini, Gianni
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198 Application of the antibunching in dye fluorescence: measuringthe excitation rates in solution Mets, Ülo
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201 Application of the polarizability theory to the calculation of anisotropic circular dichroism spectra Hache, François
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202 Application of the Yukawa potential to the auto-controlled mechanism of the ovalbumin molecule in aqueous systems Matsumoto, Takayoshi
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203 Application of the (Z + 1)-core analogy model to tetrahedral compounds of first- and second-row elements Koch, A.
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205 Approximative treatments of rotational relaxation Nyeland, Carl
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208 A quantum chemical study on the alternative mechanisms of the thermal cis-trans isomerization of streptocyanines Krossner, T.
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209 A quasi-atomic treatment of chemical and structural effects on K-shell excitations in hexagonal and cubic BN crystals Franke, R.
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210 A quasiclassical trajectory study of the collisional dissociation of H2 by He Dove, John E.
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213 A selected ion flow tube study of the reactions of gas-phase cations with PSCl3 Critchley, Andrew D.J
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214 A semiclassical study of forced anharmonic oscillators Weissman, Yitzhak
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215 A semiclassical surface-hopping procedure for vibrational relaxation in polyatomic molecules: model calculations Velev, Pavel
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216 A semiempirical approach to nonlinear optical properties of large molecules at the MNDO and MNDO d level Malagoli, Massimo
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217 A simple approximation to ionic dissociation energies of electronic states of diatomic molecules King, G.W.
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220 A simple one-dimensional model of the quantum theory of racemization Weissman, Yitzhak
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221 A simple phenomenological model for nonequilibrium interaction between two reactions in a Lorentz gas Gorecki, Jerzy
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222 Aspects of the vibrational spectroscopy of solid benzene and solid benzene: hexafluorobenzene Williams, Jeffrey H.
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223 A spin-adapted linear response theory in a coupled-cluster framework for direct calculation of spin-allowed and spin-forbidden transition energies Ghosh, Somnath
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224 Assignment of rate constants to exit channels from quenching of He(23S) metastable atoms Chang, R.S.F.
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225 A statistical model for the density dependence of electron attachment to O2 molecules McMahon, D.R.A.
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226 A study of magnetic field effects upon triplet-triplet absorptions Graham, Daniel J.
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227 A study of spin and symmetry forbidden transitions in CS2 by high resolution energy-loss spectroscopy Wilden, David G.
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229 Asymptotically exactly solvable problem of radiationless electronic transitions Makshantsev, B.I.
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231 A systematic study of polarized IR spectra of the hydrogen bond in formic acid crystals Flakus, Henryk T.
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233 A ternary nonequilibrium phase diagram for a closed unstirred Belousov–Zhabotinsky system Biosa, Grazia
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234 A theoretical analysis of two-photon magnetic circular dichroism Wagnière, G.
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235 A theoretical investigation on the structure of the hypervalent carbon and silicon pentahalogenides as well as their singly charged anions Gutsev, G.L.
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237 A theoretical study of depolarized rayleigh spectral linewidths in gases Turfa, A.F.
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238 A theoretical study of plutonium diketone complexes for solvent extraction Gagliardi, Laura
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239 A theoretical study of the collinear reaction F+H2→HF+H using multiconfigurational second-order perturbation theory (CASPT2) González-Luque, Remedios
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240 A theoretical study of the electronic structure and spectroscopic properties of the low-lying electronic states of the molecule AlSi Ornellas, Fernando R.
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241 A theoretical study of the vibrational predissociation of (NO)2 Tachibana, Akitomo
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242 A theoretical study of tunneling in the (HCCH)2 complex Resende, Stella M
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243 A theoretical study on the structure of acetonitrile (CH3CN) and its anion CH3CN− Gutsev, Gennady L.
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244 A theory of fluorescence depolarization in macroscopically ordered membrane systems van der Meer, B.W.
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245 A three-body calculation for collision-induced dissociation Sakai, Kazufumi
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246 A time-dependent quantal analysis of vibronic excitation in atom-diatom collisions Klomp, U.C.
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247 A time-resolved fluorescence study of electronic excitation energy transport in concentrated dye solutions Scully, A.D.
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249 Atomic scattering from disordered surfaces: a theoretical analysis of the cross-section overlap hypothesis Petrella, Giuseppe
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250 Atoms-in-molecules calculations on diatomic fragments of polyatomic systems: HeH, HeH+ and HeH− for a dim model of penning ionization of H2 by He* Paidarová, I
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252 A unified picture of decoherence control Alicki, R.
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253 Autodetachment spectroscopy of vibrationally excited acetaldehyde enolate anion, CH2CHO− Mullin, Amy S.
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254 Autoionization in HCl and DCl by photoelectron spectroscopy Natalis, P.
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255 A Valence-Bond/Hartree–Fock method to determine the Hubbard transfer integrals in organic conductors Castet, F.
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256 Bandshapes of electronic absorption spectra in molecular aggregates Ito, Hirotoshi
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257 Band widths in the linear bending region of non rigid molecules: 1,4-Dichlorobutyne-2 Lichene, Franco
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258 Benchmark four-component relativistic density functional calculations on Cu2, Ag2, and Au2 Wang, Fan
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259 Bending in low-lying states of N2O+: A qualitative and ab initio molecular orbital study Gregory, A.R.
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260 Bi-excitons in wide-gap II–VI quantum wells. Localization by alloy disorder Puls, J.
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261 Bimolecular infrared radiative association reactions. Attachment of Li+ to carbonyl compounds in the gas phase Woodin, R.L.
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262 Binary (e, 2e) spectroscopic study and momentum space chemistry of the two-electron systems He and H2 Leung, K.T.
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263 Binding energy and structure of the ground, first electronic and ion states of p-methoxyphenethylamine(H2O)1 isomers: a combined experimental and theoretical study Unamuno, Iñigo
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264 Bond-breaking electron transfer of diatomic reactants at metal electrodes Santos, E.
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265 Bonding in molecular dications from the classical valence bond viewpoint. A case study of CO2+ Polák, Rudolf
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266 Boron-rare gas interaction potentials: broadening and quenching of boron emission lines Taylor, Peter R.
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268 Breakdown in the Koopmans' theorem interpretation of the outer valence-level photoemission spectra of selected organic molecules Bigelow, Richard W.
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269 Brillouin scattering and refractive index measurements on low temperature liquids. II. CF4, CF3Cl, CF2Cl2, CFCl3 and CCl4 Yoshihara, A.
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271 Broken symmetry approach and density functional theory calculations for heterospin system consisting of copper(II) and aminoxyl radicals Noh, Elnoor A.A.
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272 Building-up principles for diradical states Ceulemans, A.
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273 Calculated rate constants for the reaction ClO + O → Cl + O2 between 220 and 1000 k Jaffe, Richard L.
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274 Calculation of CIDNP field dependences in biradicals in the photolysis of large-ring cycloalkanones Popov, A.V.
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275 Calculation of 19F NMR chemical shifts in uranium complexes using density functional theory and pseudopotentials Straka, Michal
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276 Calculation of neutron spectra for hydrogen in zeolites: rotational motions and translational motions in the Born–Oppenheimer limit Bug, Amy L.R.
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277 Calculation of the axial zero field splitting of atomic nitrogen in an ionic lattice Owens, F.J.
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278 Calculation of the differential photoionization cross-section of PH3 Carravetta, Vincenzo
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279 Calculation of the vertical electronic spectrum of the nitrogen molecule using the mrd-ci method Shih, Shing-Kuo
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280 Calculation of the vibrational distribution in quenching of Na(32P) by N2, and CO Gislason, E.A.
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281 Calculation of tunnelling and over-barrier decay rates by a generalised method of beats Cribb, Peter H.
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282 Calculations on clusters of Li and F ions at LiF crystal geometries Shalabi, A.S.
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283 Calculations on the optical activity due to isotopic substitution: [1-D]- and [2-18O]-α-fenchocamphoronequinone. Relationship to the optical activity of 1-substituted α-diones Dezentje, R.F.R.
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284 Can quantum Brownian motion be Markovian? Grabert, Hermann
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285 Carbon-oxygen clusters as hypothetical high energy-density materials Evangelisti, Stefano
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286 β-Carotene to bacteriochlorophyll c energy transfer in self-assembled aggregates mimicking chlorosomes Alster, J.
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287 Carotenoid photophysics Polívka, Tomáš
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289 Cavity ring-down spectroscopic study of acetaldehyde photolysis in the gas phase, on aluminum surfaces, and on ice films Tang, Yongxin
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295 Characterization of potential energy curves for H2 + and H2 by local values of electron density Amovilli, C.
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296 Characterization of reduced porphyrinatozinc(II) complexes by EPR/ENDOR/TRIPLE and optical absorption spectroscopy Pawlik, Jürgen
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297 Charge transfer and electron-vibron coupling in dense solid hydrogen Soos, Zoltán G.
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298 Charge transfer between Helium ions and metastable Helium Neynaber, R.H.
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300 Charge transfer in polar media. Transition-state entropy Dakhnovskii, Yu.I.
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301 Charge transfer reactions involving doubly-charged molecular ions Agee, J.H.
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302 Charge transfer transitions in solid tetracene and pentacene studied by electroabsorption Sebastian, L.
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303 Chemical and photophysical properties of AuI, AuII, AuIII, and AuI-dimer complexes Barakat, Khaldoon
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306 Chemical reaction rates and solvation dynamics in electrolyte solutions: ion atmosphere friction van der Zwan, G.
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307 Chemiluminescent spectra of C2*(d 3Πg-a 3Πu) and deactivation of the C2* d 3Πg state in Na vapor Xiuyon, Wang
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308 Chemisorption of aluminium and chlorine on the Si(111) surface. An ab initio study of the nature of the interaction Bo, C.
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309 Chiral discrimination in electronic energy-transfer processes in solution. Effects of temperature and solution properties on chirality-dependent rate parameters Glover-Fischer, Deborah P.
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310 Chlorine atoms in molecular crystals: Potential energy calculations Mirsky, K.
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311 Circulation reactions. II. Stochastic model of circular processes Zubkov, A.V.
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313 Classical energy calculations with electron correlation of condensed excited states — Rydberg Matter Holmlid, Leif
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314 Classical model studies of polyatomic direct photofragmentation Pattengill, M.D.
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315 Classical path calculation of differential cross sections for rotational excitation of CO colliding with D2 at 87.2 meV Billing, Gert Due
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316 Classical trajectory studies versus statistical model predictions of the reagent rotational energy dependence for the reaction Cl+ICH3→ClI+CH3 Bañares, L.
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317 Classical trajectory study of collision induced intramolecular energy transfer in trans-stilbene Bolton, Kim
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320 CNDO-calculation of second order vibronic coupling in the 1B2u-1A1g transition of benzene Fischer, Gad
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324 Coherent control of the molecular iodine vibrational dynamics by chirped femtosecond light pulses: theoretical simulation of the pump-probe experiment Lozovoy, V.V.
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325 Coherent surface fluorescence versus thermally activated energy transfer to the bulk in the anthracene crystal: Model calculations and some experimental results David, Lionel
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326 Collisional depolarization and rotational energy transfer of the 7Li2(B1IIu)—Li(2S 1 2 ) system from laser-induced fluorescence Vidal, C.R.
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327 Collisional electronic relaxation between B2Π(υ = 7) and C2Π(υ = 0) states of NO Shibuya, Kazuhiko
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328 Collision induced dissociation of laser-excited Li2 (B 1Πu) Ennen, G.
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329 Collision-induced electronic transitions in complexes between benzene and molecular oxygen Minaev, Boris F.
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330 Collision-induced intersystem crossing in a weak magnetic field. The saturation effect in propynal Brūhlmann, U.
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331 Collision integrals of oxygen atoms and ions in electronically excited states Laricchiuta, A.
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332 Collisionless dissociation of SF6 in an intense IR field Medvedev, E.S.
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333 Comment on “scaling relationships in photoelectron-photoion coincidence studies: The acetone ion dissociation” McAdoo, David J.
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341 Compete basis set ab initio study of monocomplexation of aluminum with H2O, NH3, and HF Jursic, Branko S
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345 Complex formation in X+ + H2 collisions. Statistical estimation of ion-quadrupole capture rate constants Marković, Nikola
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347 Compressibility of a polydiacetylene crystal under hydrostatic pressure and reinterpretation of the pressure-effect on the 2 eV transition Lochner, K.
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348 Computer simulation of dichloromethane. II. Molecular dynamics Ferrario, Mauro
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349 Concentration dependence of the vibrational energy relaxation of O2 in liquid mixtures Knappa, E.W.
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350 Concentration quenching of pyrene 1B1u in the vapour phase Davis, Andrew
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351 Concerning the scaling behavior in the classical mechanics of non-reactive collisions: an analytic investigation DePristo, Andrew E.
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352 Concurrence of the nν3 and (ν - 1)ν3 + ν2 + ν6 vibrational ladders in the collisionless multiphoton excitation of 32SF6 Di Lauro, C.
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353 Conditions for strictly purity-decreasing quantum Markovian dynamics Lidar, D.A.
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354 Configurational inversion of the tetrahedral molecules CH4, SiH4, and GeH4 Yoshizawa, Kazunari
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355 Configuration interaction study of shake-up structure accompanying core-ionization of substituted aromatic molecules in the vapor and condensed phases: Nitrosobenzene, diazobenzene dioxide and the no dimer Freund, Hans-Joachim
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356 Conformational effects in the absorption spectra and photochemistry of [2,n](9,10)anthracenophanes (n = 2,3) Dunand, Albert
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357 Conformational study of chiral penicillamine ligand on optically active silver nanoclusters with IR and VCD spectroscopy Yao, Hiroshi
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358 Conformation, structure and molecular solvation: a spectroscopic and computational study of 2-phenoxy ethanol and its singly and multiply hydrated clusters Macleod, Neil A.
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359 Connecting the normal pressure equilibria of the two-component system CCl(CH3)3 +CBrCl3 to the pressure–temperature phase diagrams of pure components Barrio, M.
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360 Construction of bound-state potential energy curves of diatomic molecules from spectroscopic data Diaz, Carlos G.
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361 Construction of potential energy curves in avoided crossing situations Jordan, K.D.
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372 Correlation between chemical bonding and satellite lines in X-ray photoelectron spectra of transition metal compounds Robert, T.
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373 Correlation effects in the valence shells of ZnCl2: a synchrotron radiation photoemission study de Simone, M.
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375 Correlation of positronium yield with excess Electron Mobility in Liquid Neopentane Jacobsen, F.M.
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376 Correlations in anticrossing spectra and scattering theory. Analytical aspects Guhr, T.
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377 Correlation structure—magnetic properties in (Cr2O10)14− dimeric units: A theoretical approach Charlot, M.F.
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380 Coupling between local vibrations and charge transport in discotic materials Kruglova, Olga
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391 Cyanoacetylenic complexes as pre-reactional species leading to the HC7N synthesis. Part I: Experimental and theoretical identification of the HC3N:C4H2 complexes Piétri, Nathalie
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392 Cyanoacetylenic complexes as pre-reactional species leading to the HC7N synthesis. Part II: Experimental and theoretical identifications of the HC5N:C2H2 complex Couturier-Tamburelli, I.
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395 Decay kinetics of Kr* levels populated by ArF laser radiation Wren, D.J.
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397 Deformation of electron densities in static external fields: shape group analysis for small molecules Arteca, Gustavo A.
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398 Delayed fluorescence of n-methylcarbazole in heptane and in toluene; energy transfer from upper excited singlet states of n-methylcarbazole to toluene Nickel, Bernhard
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399 Delayed S1→S0 AND S2→S0 fluorescence, delayed excimer fluorescence, and phosphorescence from biphenylene Hertzberg, Joachim
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401 Density functional study of triazole and thiadiazole systems as electron transporting materials Jansson, Emil
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443 Dispersive kinetics of nonphotochemical hole growth for oxazine 720 in glycerol, polyvinyl alcohol and their deuterated analogues Kenney, M.J.
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444 Dissipative relaxation of a low-energy intermediate electronic state in three-level electron transfer Kuznetsov, Aleksandr M.
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445 Dissociation dynamics of acetyl chloride and cis-trans isomerisation of methoxychloro carbene and chlorohydroxymetyl carbene Sumathi, R.
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446 Dissociation in collisions of H2 + with He in the eV region. Crossed-beam experiments and quasi-classical trajectory calculations Havemann, U.
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8 p.
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447 Dissociation of acetyl bromide: an experimental and theoretical study Su, Y.
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448 Dissociation rate and N (4S) atom concentrations in a N2 glow-discharge Loureiro, J.
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449 Dissociative adsorption dynamics of formaldehyde on a platinum electrode surface; one-dimensional domino? Nakabayashi, S.
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450 Dissociative excitation of aliphatic hydrocarbons (C2H2n : n = 1, 2, 3) by fast argon ion impact: Rovibrational distribution of CH(A2 Δ) Tokeshi, Manabu
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451 Dissociative excitation of hydrogen in rf and dc glow discharges through H2 Vrhovac, S.B.
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452 Dissociative photoionisation of NO2 up to 26 eV Eland, J.H.D.
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453 Doping in PPV light-emitting devices fabricated on different substrates Brütting, W.
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454 Doppler-free high resolution laser spectroscopies of the naphthalene molecule Kabir, M.H.
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455 Doppler-free radio frequency lineshape theory for a three-level system with three allowed transitions in presence of an IR pump. Ghoshal, Sharmistha
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8 p.
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456 Do protons tunnel in the formic acid dimer and in the crystal? Robertson, G.N.
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457 Double optical-IR resonance effect for the single rotational level of the V 1 2 K 1 2 vibronic transition of C2H2 Makarov, Vladimir I.
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458 Double photoionization of CO2, OCS, C2H2, CF4, and C6H6 studied by threshold photoelectrons coincidence (TPEsCO) spectroscopy Hall, R.I.
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11 p.
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459 Double-resonance and relaxation in a three-level system Feuillade, C.
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460 Double resonance spectroscopy of NaI and KI: the van der Waals states Ω=1 and Ω=2 of the first atomic asymptote Bluhm, H.
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461 Dramatic reduction in fluorescence quantum yield in mutants of Green Fluorescent Protein due to fast internal conversion 1 Work at KAIROS Scientific was supported by DOE Grant DE-FG03-96ER20211 and NIH Grant R44GM53287-02. The spectroscopic part of this project has been supported by Stiftung Volkswagenwerk and Deutsche Forschungsgemeinschaft (SFB 377). 1 Kummer, Andreas D
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462 Dual fluorescence of 2-(4′-N,N-dimethylaminophenyl)benzoxazole: effect of solvent and pH Krishnamoorthy, G.
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463 Dual phosphorescence of halogenated benzenes in rigid-glass solution Takemura, Takeshi
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464 DVM Xα calculations of the optical spectra, ionization potentials and electron affinities of the CF, CF2, CF3, C2F and C2F2 radicals Gutsev, G.L.
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465 Dynamical correlations in a binary metastable fluid Ullo, J.
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466 Dynamical coupling of the diatom vibrational motions in collisions of N2 with N2 + Sohlberg, Karl
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467 Dynamical Lie algebraic approach to rotationally inelastic scattering of molecules from surfaces Guan, Daren
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468 Dynamics of C2(d3Πg) formation in the He* + C2H2 diffusion flame Winicur, D.H.
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469 Dynamics of CO formation in the reaction O(3P)+C2H3 Donaldson, D.J.
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470 Dynamics of competing channels in the S−/H2 collisional system Brenot, J.C.
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471 Dynamics of energy transport in ternary molecular solids. I. Naphthalene steady state fluorescence Argyrakis, Panos
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472 Dynamics of exciplex formation in rare gas media Rojas-Lorenzo, Germán
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473 Dynamics of hot-electron transfer in oriented methyl halides on GaAs(110) Lu, P.H.
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474 Dynamics of kink motion in hydrocarbon chains; calculation of NMR relaxation times Edholm, O.
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475 Dynamics of rubidium light-induced atom desorption (LIAD) Mariotti, E.
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476 Dynamics of the quantum Duffing oscillator in the driving induced bistable regime Peano, V.
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477 Dynamics of visible-to-ultraviolet upconversion in YAlO3: 1% Er3+ Xu, Huailiang
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5 p.
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478 Editorial Hochstrasser, Robin
 1995
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2 p.
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479 Editorial board 2004
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480 Editorial Board 1998
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481 Editorial Board 1995
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482 Editorial Board 1995
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483 Editorial Board 1995
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484 Editorial Board 1997
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485 Editorial board 1996
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486 Editorial Board 1996
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487 Editorial Board 1997
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488 Editorial Board 1997
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489 Editorial Board 1996
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490 Editorial Board 1995
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491 Editorial board 2006
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492 Editorial board 2005
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493 Editorial board 2004
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494 Editorial Board 1997
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495 Effective and non-local polarizability response in molecular assemblies Munn, R.W.
 1983
 1-10 1-2 p. 41-55
15 p.
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496 Effective core potential calculations using frozen orbitals. Applications to transition metals Pettersson, Lars G.M.
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 1-10 1-2 p. 7-16
10 p.
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497 Effective hamiltonian method and magnetic properties of sandwich complexes Černý, V.
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 1-10 1-2 p. 205-213
9 p.
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498 Effect of orientational and substitutional disorders on the N2 vibrational exciton in N2/CO mixed crystals Turc, C.
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499 Effect of pressure and temperature on the H-atom tunneling in solid phase chemical reactions. The acridine/fluorene system Trakhtenberg, L.I.
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500 Effect of protonation on the atomic and bond properties of the carbonyl group in aldehydes and ketones Graña, Ana M
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501 Effect of sensitizer on photorefractive nonlinear optics in poly(N-vinylcarbazole) based polymer composites Tsutsumi, Naoto
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502 Effect of solvent fluctuations on proton transfer dynamics: a hybrid AM1/MM molecular dynamics simulation on the [H3N–H–NH3]+ system Li, Guo-Sheng
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 1-10 1-2 p. 93-99
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503 Effect of substituents on the spectroscopic properties of all-trans-1,6-diphenyl-1,3,5-hexatriene Pistolis, G.
 1998
 1-10 1-2 p. 83-99
17 p.
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504 Effect of the substituent on the potential energy surfaces and vibrational mode structure in the monosubstituted benzene-argon van der Waals complexes Mons, Michel
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 1-10 1-2 p. 195-205
11 p.
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505 Effect of xanthophyll composition on the chlorophyll excited state lifetime in plant leaves and isolated LHCII Johnson, Matthew P.
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506 Effects of CCl4 on positronium formation in pure isooctane and in AOT/water/isooctane microemulsions Ferreira Marques, M.F.
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8 p.
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507 Effects of film order on the optical properties of α-sexithiophene Lane, P.A.
 1998
 1-10 1-2 p. 57-64
8 p.
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508 Effects of methyl substitution on electronic relaxation processes of pyrimidine vapor Uchida, Katsuo
 1978
 1-10 1-2 p. 91-101
11 p.
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509 Effects of relativity in the He(I) Photoelecron Spectrum of CI4 Jonkers, G.
 1982
 1-10 1-2 p. 109-114
6 p.
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510 Effects of vibronic coupling on the EPR spectra of copper(II) doped K2ZnF4 Riley, Mark J.
 1986
 1-10 1-2 p. 11-28
18 p.
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511 Effects on silver-surface-enhanced Raman spectroscopy by competitive adsorption of hydroxide and halide ions Park, Hongkun
 1992
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8 p.
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512 Efficient generation of matrix elements for one-electron spin–orbit operators Kleinschmidt, Martin
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9 p.
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513 Efficient parabolic evaluation of coupling terms in hybrid quantum/classical simulations Bastida, Adolfo
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514 Electric field effect on the upper critical solution temperature Orzechowski, Kazimierz
 1999
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7 p.
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515 Electric field-induced fluorescence quenching and transient fluorescence studies in poly(p-terphenylene vinylene) related polymers Pfeffer, N.
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12 p.
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516 Electric-field-induced modulation of fluorescence from rhodamine 610 dye in a thin plastic film Code, R.Fraser
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6 p.
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517 Electric field-induced predissociation of I2(B 3Π0+u) Sullivan, Brian J.
 1980
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6 p.
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518 Electric moments, polarizabilities and hyperpolarizabilities. Maroulis, G.
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 1-10 1-2 p. 281-
1 p.
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519 Electric polarisation of water: Monte Carlo studies Watts, R.O.
 1981
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520 Electro-absorption spectrum of tetracene. High field measurements on polycrystalline samples Kalinowski, Jan
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521 Electrochemical generation of excited TICT states. V. Evidence of inverted Marcus region Kapturkiewicz, Andrzej
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522 Electrolyte dissipation effects on polyion diffusion in low ionic strength buffers Schmitz, Kenneth S.
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523 Electrolyte polarization effects on polyion diffusion in low oinic strength buffers Schmitz, Kenneth S.
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524 Electron control in photodissociation by two-color multiphoton processes Bandrauk, AndréD.
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525 Electron donor-acceptor orbital correlations. III. Syn and anti correlation schemes for cofacial complexes of 1,2,4,5-benzenetetracarbonitrile with some aromatic hydrocarbons Stevens, B.
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 1-10 1-2 p. 1-9
9 p.
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526 Electron dynamics at semiconductor surfaces and interfaces Haight, Richard
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14 p.
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527 Electronic and structural properties of CaH2: an ab initio Hartree–Fock study El Gridani, Abderrahman
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8 p.
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528 Electronic bath theory: Multi-orbital primary zone McDowell, H.Keith
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11 p.
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529 Electronic energy transfer from metastable argon atoms to ground-state nitrogen atoms Piper, Lawrence G.
 1980
 1-10 1-2 p. 107-112
6 p.
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530 Electronic excitation in reactive collisions of Cs atoms with nonmetal fluorides Bennewitz, H.G.
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 1-10 1-2 p. 227-236
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531 Electronic excited state transport and trapping in one-and two-demensional disordered systems F. Loring, Roger
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9 p.
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532 Electronic spectroscopy and structures of the van der Waals complexes of α,ω-dihaloalkanes with anthracene Hlady, Jason C
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533 Electronic spectroscopy of fluorobenzene Van der Waals molecules by resonant two-photon ionization Rademann, K.
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534 Electronic states of symmetrically disubstituted s-tetrazines Waluk, Jacek
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535 Electronic structure and spectral properties of selected trimethyl-alloxazines: Combined experimental and DFT study Bruszyńska, Magdalena
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536 Electronic structure and spectroscopy of monohalides of metals of group I-B Guichemerre, M.
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537 Electronic structure calculations Bi4Ge3O12 with the MSXα method. Comparison with experimental data Rogemond, François
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9 p.
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538 Electronic structure in large finite aperiodic polypeptide chains Day, R.S.
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539 Electronic structure of the lowest singlet and triplet excited states in cyano-substituted oligo(phenylene vinglene)s dos Santos, D.A.
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 1-10 1-2 p. 1-10
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540 Electronic structures of PtCu, PtAg, and PtAu molecules: a Dirac four-component relativistic study Abe, Minori
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541 Electronic structure, vibrational spectrum and photochemistry of the Fe+H2 system Granucci, Giovanni
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542 Electronic—vibrational excitations of a hydrogen-bonded molecule in supersonic expansions: 1,4-dihydroxyanthraquinone and its deuterated derivatives Smulevich, G.
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 1-10 1-2 p. 1-18
18 p.
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543 Electron impact dissociation of CH4(CD4): Laser induced fluorescence of product CH+(CD+) Mahan, Bruce H.
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 1-10 1-2 p. 35-44
10 p.
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544 Electron impact dissociation of molecular Hydrogen and Deuterium: Isotope effect on the emission cross section of H* AND D* (n=3,4,5) Higo, Morihide
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8 p.
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545 Electron-impact dissociative ionization of CClF3 and CCl3F Martínez, Roberto
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546 Electron impact induced light emission from CF4, CF3H, CF3Cl, CF2Cl2 and CFCl3 van Sprang, H.A.
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11 p.
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547 Electron-ion pair distance distribution functions reconstructed from radiation-chemical and photochemical experiments Shokhirev, N.V.
 1986
 1-10 1-2 p. 117-126
10 p.
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548 Electron paramagnetic resonance studies of transition metal oxalates and their photochemistry in single crystals Doetschman, D.C.
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16 p.
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549 Electron–photon field dynamics: numerically exact calculations of multi-state molecule systems interacting with a single-mode coherent photon field Nakano, Masayoshi
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550 Electron-proton free-energy surfaces for proton transfer reaction in polar solvents: test calculations for carbon-carbon reaction centres Basilevsky, M.V.
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20 p.
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551 Electron scattering from atoms within a laser field: Green's function method Deguchi, Kisaburo
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552 Electron spectra and one-electron properties of the WOCl4, WSCl4 and WOBr4 molecules Topol, I.A.
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7 p.
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553 Electron spin resonance studies of d5 ions (Fe3+ and Mn2+) in lead oxide—lead halide glasses Rao, B.G.
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12 p.
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554 Electron stimulated C–F bond breaking kinetics in fluorine-containing organic thin films Perry, C.C.
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555 Electron transfer and energy transfer through bridged systems. II. Tight binding linkages with zero asymptotic band gap Reimers, J.R.
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556 Electron transfer in tetranuclear mixed-valence iron clusters. Role of the topology on the magnetic properties Borras-Almenar, J.J.
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6 p.
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557 Electron transfer optical bands of charge-ordered mixed valence compounds. Quasidynamical model Tsukerblat, B.S.
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10 p.
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558 Electrostatic solvation energy in media with spatially varying dielectric permittivity Raudino, A.
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10 p.
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559 Emission and laser excitation spectra of rotationally cooled cations in the gas phase: Ã2Π ↔ X̃2Π band systems of 2X+, X = Cl, Br Klapstein, Dieter
1-10 1-2 p. 101-110
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560 Energies of interactions between purine and pyrimidine bases in B- and Z-DNA Förner, W.
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561 Energy-component analysis along zero virial path Tokiwa, Hiroaki
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562 Energy-consistent pseudopotentials for group 11 and 12 atoms: adjustment to multi-configuration Dirac–Hartree–Fock data Figgen, Detlev
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563 Energy decomposition analysis of methyl derivatives of the meridianal isomer of tris(8-hydroxyquinolino)aluminum (mer-Alq3) Irfan, Ahmad
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564 Energy distribution among reaction products XI, H + ClF → HF + Cl, HCl + F Brandt, D.
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565 Energy levels and partition functions of internal rotation: Analytical approximations Strekalov, M.L.
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566 Energy partitioning in photodissociation of methyl, ethyl and n-propyl iodides at 304 nm Wee Kyung Kang,
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567 Energy transfer and dissociation in H2 +H2: The role of internal energy of the collider Mandy, M.E.
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568 Energy transfer as a function of collision energy. II. Esche, B.A.
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569 Energy transfer as an explanation of the radiolysis products in 1,8-dichlorooctane/n-decane-h 22 mixtures Claesson, Ola
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8 p.
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570 Energy transfer in collisions of atoms with vibrationally (rotationally) excited molecules: a field-theoretical formulation and a numerical application Ficocelli Varracchio, E.
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571 Energy transfer in collisions of vibrationally excited diatomics with atoms at low energies (1–100 meV) Rubahn, H.-G.
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572 Energy transfer processes between He(23S) and Ne(3P0.2) metastable atoms and CS radicals Obase, Hiroshi
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7 p.
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573 Enhancement of low-temperature chemical reactions in phase transitions Dakhnovskii, Yu.I.
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574 Environmental decoherence of many-body quantum systems: Semiclassical theory and simulation Riga, Jeanne M.
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575 Environmental effects on the photophysics of thienyl ketones investigated by transient absorption and phosphorescence emission in polarized light Favaro, G.
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576 EPR spectra and local lattice structure of Fe3+ impurity ions in ferroelectric LiNbO3 Wang, Hui
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577 EPR studies on high-spin (Fe(III) tetraphenylporphine having rhombic character. Spin hamiltonian and crystal field analysis of g values Sato, Mitsuo
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578 Equation of state of planar hard molecular fluids; hard cyclic multimer system Brańka, A.C.
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579 Erratum
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580 Erratum to: “Anomalous diffusion: nonlinear fractional Fokker–Planck equation” Tsallis, C.
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581 Erratum to “Complete parameterization, and invariance, of diffusive quantum trajectories for Markovian open systems” [Chem. Phys. 268 (2001) 91–104] Wiseman, H.M.
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582 Erratum to “Quasiclassical calculation of the chemical reaction Sr+HF” [Chemical Physics 255 (2000) 283–289] Cai, Meng-Qiu
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583 Erratum to “Schumann-Runge bands of O2 in Ar, Kr and Xe matrices revisited: potential curves of the B 3Σ u − state” [Chem. Phys. 201 (1995) 451–462] Gudipati, M.S
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584 ESR and ODMR of triplet excitons in 1,2,4,5-tetrachlorobenzene crystals Zieger, J.
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585 ESR study on radiation-induced radicals in stearic acid and its related compounds adsorbed on interlamellar surfaces of montmorillonite Nagai, Siro
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7 p.
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586 Estimates of chemical laser efficiency in the limits of fast and slow rotational relaxation Ben-Shaul, A.
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587 Estimation of individual binding energies in some dimers involving multiple hydrogen bonds using topological properties of electron charge density Ebrahimi, A.
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588 Estimation of relative binding free energy based on a free energy variational principle for quantitative structure activity relationship analyses Shine, Yuichi
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589 Estimation of the integral cross section for dissociative excitation of F2 by electron impact Cartwright, D.C.
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590 Evaluation of HF product distributions deduced from infrared chemiluminiscence. II. F atom reactions Wickramaaratchi, M.A.
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591 Evaluation of the triplet fine structure tensor in the DA-complex anthracene-PMDA by triplet-doublet resonance (TDR) recorded in the photocurrent Ziegler, J.
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592 Even tempered basis sets for four-component relativistic quantum chemistry Fægri, Knut
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593 Evidence for molecular distortion involving the carbonyl group in triplet states of carbonyl derivatives of naphthalene obtained from time resolved vibrational spectroscopic studies van der Burgt, M.J.
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18 p.
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594 Evidence for quasibound states in highly excited CO+ and NO+ van der Kamp, A.B.
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595 Evidence for the existence of structures in gas-phase homomolecular clusters of water Hermann, V.
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596 Exact and simulated coulomb holes and coulomb correlations potentials for the ground state of the He isoelectronic systems Ros, P.
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597 Exchange-correlation and QED effects from a density functional based level shift approach Engel, E.
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598 Exchange-Coulomb potential energy surfaces, and related physical properties, for KrN2 Dham, Ashok K.
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599 Exchange-perturbation calculations of the interaction energy between Be atoms including intra-atomic correlation effects Chałasiński, Grzegorz
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600 Excimer emission in indium vapor Bicchi, P.
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601 Excimer formation as the relaxation of a non-linear oscillator. I. Model calculations in a linear chain Dunlap, D.H.
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602 Excitation and dispersed fluorescence spectra of the 1B2(V)-1Σg +(X̄) transition of jet-cooled CS2 Kasahara, Hiroshi
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603 Excitation and ionization of the monohaloethylenes (C2H3X, X = F, Cl, Br, I). I. Inner-shell excitation by electron energy loss spectroscopy Sze, K.H.
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604 Excitation cross sections for 3s, 3p and 3d sublevels of atomic hydrogen split from simple molecules by high-energy electron impact Möhlmann, G.R.
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605 Excitation transfer by long-range and short-range interactions in liquid solution: the temporal behavior Bandyopadhyay, T.
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606 Excited S1 state dipole moments of nitrobenzene and p-nitroaniline from thermochromic effect on electronic absorption spectra Kawski, A.
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607 Excited state direct dynamics of benzene with reparameterized multi-reference semiempirical configuration interaction methods Toniolo, A
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608 Excited state dynamics of the astaxanthin radical cation Amarie, Sergiu
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609 Excited state properties of the astaxanthin radical cation: A quantum chemical study Dreuw, Andreas
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610 Excited state relaxation dynamics and electronic properties of a quinoid carotenoid Ostroumov, Evgeny E.
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611 Excited triplet state polarizabilities in laser induced repractive index transients Friedrich, D.M.
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612 Exciton fission in excimer forming crystal. Dynamics of an excimer build-up in α-perylene Albrecht, W.G.
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613 Excitonic and vibronic structure of absorption spectra of Me-PTCDI and PTCDA crystals Lalov, I.J.
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614 Excitonic quantum beats in semiconductor quantum-well structures Koch, Martin
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615 Exciton-LO-phonon quantum kinetics: three-beam four-wave mixing experiments and theory on bulk GaAs Steinbach, D.
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616 Exciton—phonon coupling in molecular crystal trapping processes Craig, D.P.
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617 Exciton splitting in the spectra of covalently linked porphyrins Eriksson, S.
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618 Experimental and theoretical approach to the molecular dynamics of pyridine and related molecules. IV. Dielectric relaxation of trans 1-(2-pyridyl)-2-(4-pyridyl)-, 1-(2-pyridyl)-2-(3-pyridyl)-, and 1,2-di-(3-pyridyl)-ethylenes in a non-polar solvent Jakusek, E.
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619 Experimental and theoretical investigation of the complete valence shell ionization spectra of CO2and N2O Domcke, W.
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620 Experimental and theoretical investigations of the X-ray absorption near edge spectra (XANES) of P4O6 and P4O6X (X  O, S, Se) Engemann, C.
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621 Experimental angular velocity correlation functions for CHCl3 Janik, B.
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622 Experimental evidence for fractional time evolution in glass forming materials Hilfer, R.
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623 Experimental investigation of the valence orbital momentum distributions and ionization energies of the noble gases by binary (e, 2e) spectroscopy Leung, K.T.
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624 Explaining the unexpected structure of propadienone Brown, Ronald D.
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625 Extensive analysis of the X1Σ+ g ground state of 7Li2 by laser-induced fluorescence Fourier transform spectrometry Barakat, B.
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626 Extreme events as foundation of Lévy walks with varying velocity Kutner, Ryszard
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627 Extrinsic photoconductivity in xenon-doped fluid argon and krypton Reininger, R.
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628 Factors affecting anisotropic reorientation in a series of aromatic molecules dissolved in carbon disulfide Nery, H.
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629 False isokinetic relationships found in the nonisothermal decomposition of solids Vyazovkin, Sergey
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630 Far-infrared bandshapes and angular motion of HCl, H2O and D2O in solutions Ikawa, Shun-ichi
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631 Far infrared interaction induced absorption spectra of CS2−C6H6 liquid mixtures. A low concentration study Zoidis, Evangelos
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632 Faster approximate force calculations via quasi-spin density exchange-correlation functionals Karasiev, V.V.
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633 Femtosecond dynamics of carotenoid-to-bacteriochlorophyll a energy transfer in the light-harvesting antenna complexes from the purple bacterium Chromatium purpuratum Ola Andersson, Per
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634 Femtosecond studies of electron tunneling at metal-dielectric interfaces Lingle Jr., R.L.
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635 Femtosecond time-resolved photoemission study of hot electron relaxation at the GaAs(100) surface Schmuttenmaer, C.A.
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636 Field induced perturbations in the ultraviolet spectrum of aniline; vibronic origin of the perturbing state Lombardi, John R.
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637 Fine atomic image of mica cleavage planes obtained with an atomic force microscope (AFM) and a novel procedure for image processing Baba, Miyuki
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638 Fine-structure dependence of the Ar∗ (3P0,2) + N2(X) excitation transfer process Vredenbregt, E.J.D.
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639 Finite field method calculations. VI. Raman scatering activities, infrared absorption intensities and higher-order moments: SCF and CI calculations for the isotopic derivatives of H2O and SCF calculations for CH4 John, I.G.
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640 First-order MP2 molecular properties in a relativistic framework van Stralen, Joost N.P.
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641 First-principles study of H adsorption on and absorption in Cu(111) surface Nie, J.L.
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642 First principles study of structural, electronic and optical properties of KCl crystal Chen, Z.J.
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643 First-principles study of the geometrical and electronic structures of In n (n =2–16) clusters Zhang, Wen-qing
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644 First principle study of processes modifying the conductivity of substoichiometric SnO2 based materials upon adsorption of CO from atmosphere Ciriaco, Fulvio
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645 Flow-induced symmetry reduction in two-dimensional reaction–diffusion system Hu, Hai Xiang
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646 Fluorescence analysis of trans-2-styrylnaphthalene in solution Birks, J.B.
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647 Fluorescence analysis of two new TICT systems: 10-Cyano-9,9′-bianthryl (CBA) and 10, 10′-dicyano-9,9′-bianthryl (DCBA) Müller, Siegfried
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648 Fluorescence behaviour of 5,10-methenyltetrahydrofolate, 10-formyltetrahydrofolate, 10-formyldihydrofolate, and 10-formylfolate in aqueous solution at pH 8 Tyagi, A.
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649 Fluorescence from the CS 2 2 + dication: Theory and experiment Taylor, S.
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650 Fluorescence lifetime of rovibrational states of h4-acetaldehyde and spectra of d4-acetaldehyde Jen, Shih-Hui
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651 Fluorescence lifetimes of the single vibrational levels of H2CS1, D2CS, and Cl2CS in the Ā1A2 state Kawasaki, Masahiro
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652 Fluorescence-photoion-coincidence spectroscopy on inner shell excited molecules Meyer, M.
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653 Fluorescence quenching of ultrathin anthracene films by dielectric and metallic substrates Daffertshofer, M.
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654 Focusing, rotational state selection and orientation of CH3I in a seeded supersonic beam Chakravorty, K.K.
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655 Force field in the hydroxylamine molecule from ab intio MO calculation Tanaka, Naoki
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656 Formation of NH(A 3Π, c1Π) by the electron impact dissociation of ammonia Tokue, Ikuo
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657 Formation of vibrationally excited HCO in the photodissociation of acetaldehyde at 266 nm Goldstein, N.
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658 Forward–backward semiclassical dynamics for systems of indistinguishable particles Nakayama, Akira
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659 Fourth and sixth spectral moments in far infrared spectroscopy Evans, M.W.
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660 Four-wave-mixing spectroscopy of peridinin in solution and in the peridinin–chlorophyll-a protein Christensson, Niklas
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661 Fractal analysis of Brownian dynamics simulations of diffusion-controlled reactions López-Quintela, M.A.
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662 Fragmentation of the valence electronic states of PSCl3 + studied by threshold photoelectron–photoion coincidence spectroscopy Howle, Chris R
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663 Franck-Condon factors and related matrix elements for the rotating morse oscillator Elsum, Ian R.
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664 Franck-Condon transition component distributions in chemical bond formation processes in condensed systems Engler, C.
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665 Free jet absorption millimetre-wave spectrum and model calculations of phenol–water Melandri, Sonia
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666 Free NH3 quantum rotations in Hofmann clathrates: structure factors and line widths studied by inelastic neutron scattering Sobolev, O.
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667 Frenkel and charge transfer states of conjugated polymers and molecules Soos, Z.G.
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668 Frequency dependent Raman scattering activities of BeH2, MgH2, CaH2, SrH2, and H2O, H2S, H2Se, H2Te, evaluated by the ab initio relativistic four component method Dirac–Hartree–Fock Vidal, Luciano N.
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669 Frequency-dependent solvent friction and torsional damping in liquid 1,2-difluoroethane MacPhail, Richard A.
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670 Friction effect on the mechanism of photochemical redox processes in solutions Kapinus, E.I.
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671 From dynamics to modeling of plasma complex systems: negative ion (H-) sources Gorse, C.
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672 Functional heterogeneity of the fucoxanthins and fucoxanthin-chlorophyll proteins in diatom cells revealed by their electrochromic response and fluorescence and linear dichroism spectra Szabó, Milán
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673 Fundamental aspects of chemical kinetics in condensed phases Harris, Jonathan G.
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674 Gaseous ion transport coefficients Viehland, Larry A.
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675 Gas/gas and gas/wall energy transfer functions in the multichannel thermal decomposition of chloroethane-2-d 1 King, Keith D.
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676 Gas phase dihydrogen bonding: clusters of borane-amines with phenol and aniline Patwari, G.Naresh
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677 Gas-phase phosphorescence of thioformaldehyde Clouthier, D.J.
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678 Gauge invariant formulation of molecular electrodynamics and the multipolar Hamiltonian Chernyak, Vladimir
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679 Gaussian Type Orbitals basis sets for the calculation of continuum properties in molecules: the differential photoionization cross section of acetylene Cacelli, Ivo
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680 Generalized classification of the rotational—vibrational wavefunctions of C3v and D3h symmetric tops according to their respective molecular point groups Metrolopoulos, Aristophanes
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681 Generalized lagrangian equations of nonlliner reaction—diffusion Biot, M.A.
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682 Generalized Langevin model for molecular dynamics of an activated reaction in solution Benjamin, I.
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683 Generalized molecular orbital (GMO) theories of organic reaction mechanisms. Orbital symmetry, orbital stability and orbital pairing rules Yamaguchi, Kizashi
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684 Generation of transient species by laser induced pyrolysis. The high resolution fourier transform infrared spectrum of NCN McNaughton, D.
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685 Geometry and bonding in the ground and lowest triplet state of D 6 h symmetric crenellated edged C6[3 m ( m −1)+1]H6(2 m −1) (m =2,…,6) graphene hydrocarbon molecules Philpott, Michael R.
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686 Green's functions in the theories of radiationless transitions, complex molecular spectra and resonant Raman cross sections Hong, Hwei-Kwan
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687 Green's function theory of multiphoton ionization Deguchi, Kisaburo
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688 Group theoretical statistical mechanics applied to couette flow Evans, M.W.
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689 H-aggregation and correlated absorption and emission of a merocyanine dye in solution, at the surface and in the solid state. A link between crystal structure and photophysical properties Nüesch, Frank
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690 Haken—Strobl—Reineker model: its limits of validity and a possible extension Čápek, V.
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691 Harmonicity in slow protein dynamics Hinsen, Konrad
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692 Hartree—fock—slater-LCAO calculations on [Fe4S4(SH)4]0, 2−,3−: a model for the 4-Fe active site in high potential iron protein and ferredoxin Geurts, P.J.M.
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693 H-bonds of adipic acid crystals at low temperature. I. Experimental results from polarized IR spectroscopy Auvert, G.
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694 H-bonds of adipic acid crystals at low temperature. II. Polarizations of the νs and 2γOH (2γOD) bands Auvert, G.
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695 H-bonds of imidazole crystals. III. Crystal effect Excoffon, P.
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696 Heavy-atom effects on metalloporphyrins and polyhalogenated porphyrins Azenha, Emı́lia G.
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697 Heavy ions in mixtures of light gases: Fokker-Planck equation and its solution Ferrari, Leonardo
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698 He(I) photoelectron specrposcopy of tetraiodoethylene (C2I4) Jonkers, G.
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699 He (I) photoelectron spectroscopy of transient species: germanium dichloride and germanium dibromide Jonkers, G.
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700 Heterogeneous against homogeneous spectral response of polar molecules adsorbed on a real surface Zorgati, H.
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701 High field Mössbauer effect studies of some anionic iron (IV) dithiochelates Niarchos, D.
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702 Highly correlated QDPT-CI calculations of valence and core photoelectron spectra of Ne Fronzoni, G.
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703 Highly resolved optical spectra of o-durylene Cofino, W.P.
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704 High multiplicity states in disordered carbon systems: Ab initio and semiempirical study Khavryuchenko, Volodymyr D.
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705 High-order double exchange in mixed-valence [Fe(III)Fe(II)] cluster Belinsky, Moisey I.
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706 High oxidation states in actinide chemistry: a DHF investigation of some trends exemplified by the AnO2F4 species Dyall, Kenneth G
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707 High pressure effect on the twisted intromolecular charge transfer fluorescence and absorption of p-N,N-dimethylaminobenzylidinemalononitrile (DMABMN) in polymeric matrices Dreger, Z.A.
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708 High pressure study of phase transitions and intermolecular interaction in crystalline benzene Gaidai, S.I.
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709 High-resolution absorption cross section measurements of NO2 in the UV and visible region Yoshino, K.
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710 High-resolution fluorescence excitation spectra of jet-cooled benzyl and p-methylbenzyl radicals Lin, Tai-Yuan David
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711 High-resolution molecular-beam spectroscopy of NaCN and Na13CN van Vaals, J.J.
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712 High-resolution one- and two-photon spectra of matrix-isolated anthracene Wolf, Joachim
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713 High-resolution pump–probe rotational coherence spectroscopy – rotational constants and structure of ground and electronically excited states of large molecular systems Riehn, Christoph
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714 High resolution rotational spectroscopy and ring-puckering conformation of 3-hydroxytetrahydrothiophene Torok, Charles R
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715 High resolution spectroscopic studies of 1-(1-naphthyl)ethylamine in S0 and S1: exploring the dependence of circular dichroism on conformational structure Plusquellic, David F.
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716 High resolution spectroscopy of a hydrocarbon with the triplet ground state, 2,2-dimethyl-2H-dibenzo[cd,k]fluoranthene and its closed-shell precursor in solid matrices Renge, Indrek
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717 High-resolution threshold photoelectron spectroscopy of hydrogen iodide Cormack, A.J.
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718 High rydberg states of jet-cooled toluene observed by ultraviolet two-photon absorption spectroscopy: Ultrafast radiationless decay and pseudo-Jahn-Teller effects Whetten, Robert L.
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719 High-spin-low-spin transitions in Fe(II) complexes by effective Hamiltonian method Tchougréeff, Andrei L.
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720 High-temperature photoelectron spectroscopy: a study of atomic and molecular antimony Dyke, J.M.
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721 High-temperature reactions of C60 with polycyclic aromatic hydrocarbons Martin, Natalia M.
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722 Hole burning Stark spectroscopy of J aggregates Wendt, H.
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723 Hole transport in arylamine doped polymers Visser, S.A
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724 Homolytic dissociation energies from GVB-LSDC calculations Kraka, Elfi
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725 Hula-twisting in green fluorescent protein Baffour-Awuah, Nana Yaa A
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726 Hybrid procedure of the ab initio molecular orbital (MO) method and the Monte Carlo samplings; application to cluster B+(H2O) Watanabe, Hidekazu
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727 Hydration dependence of molecular mobility in phospholipid bilayers Pissis, P.
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728 Hydrogen-atom abstraction by atomic fluorine. Vibrational spectrum of the F+CH3F reaction products trapped in solid argon Jacox, Marilyn E.
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729 Hydrogen bond and torsion-torsion interaction in 2-methylallyl alcohol from the microwave spectrum Caminati, Walther
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730 Hydrogen bonding and tunneling in the 2-pyridone·2-hydroxypyridine dimer. Effect of electronic excitation Borst, David R.
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731 Hydrogen bonding of isoindole-1,3-dione in reaction field: Vibrational spectroscopy study Safinejad, F.
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732 α-Hydroxyalkyl radicals by photoreduction in aprotic solvents: ESR spectra, AB initio potential function, inversion—internal rotation dynamics and temperature dependence of coupling constants of 1-hydroxyethyl Cirelli, G.
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733 Hyperfine structure in the Ω=0+ ground state of bismuth iodide (Bil) Tischer, R.
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734 Identification of slowly diffusing metastable states of the nitrogen molecule Fewell, M.P
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735 IFC 2003
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1 p.
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736 IFC 2002
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1 p.
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737 IFC 2002
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1 p.
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738 IFC 2006
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1 p.
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739 IFC 2006
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740 IFC 2008
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741 IFC (Editorial Board) 2009
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742 IFC (Editorial Board) 2009
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744 IFC (Editorial Board) 2009
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745 IFC (Editorial Board) 2010
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746 IFC (Editorial Board) 2010
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748 Importance of correlation energy in collision dynamics: Quasiclassical trajectory study of collinear He+H2 +(υ′)→HeH+ + H using HF and CI potential-energy surfaces Sathyamurthy, N.
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749 Impulsive IR-multiphoton dissociation of acrolein: observation of non-statistical product vibrational excitation in CO (v=1–12) by time resolved IR fluorescence spectroscopy Chowdhury, P.K.
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750 Impulsive stimulated scattering study of normal and supercooled liquid triphenylphosphite Silence, Scott M.
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751 Inelastic neutron scattering from damped collective vibrations of macromolecules Kneller, Gerald R.
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752 Inelastic neutron scattering from liquid para-hydrogen by ring polymer molecular dynamics Craig, Ian R.
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753 Inelastic neutron scattering studies of coordinated acetylene: The complex Co2(CO)6·C2H2 Howard, Joseph
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754 Inelastic neutron scattering studies of polyanilines and partially deuterated analogues Fillaux, F.
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755 Inelastic neutron scattering study of methyl tunnelling in an oriented single-crystal of 2,6-dimethylpyrazine at low temperature and rotational–potential calculations Nicolaı̈, B
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756 Inelastic scattering of fast electrons from molecular systems. I. Hydrogen molecule Arrighini, G.P.
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757 Inequivalent methyl CH oscillators in methyl-substituted conjugated compounds as revealed by higher overtone spectra Nakagaki, Ryoichi
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758 Influence of aggregation on the optical spectra of a polymethine dye in single crystals Dähne, L.
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759 Influence of a strong electric field on the dielectric permittivity of alcohols. II. Temperature effect Danielewicz-Ferchmin, Irena
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760 Influence of hydrogen bonding in the ground and the excited states of the isomers of the β-carboline anhydrobase (N2-methyl-9H-pyrido[3,4-b]indole) in aprotic solvents Sánchez-Coronilla, Antonio
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761 Influence of magnetic field on photoinduced electron transfer in non-Markovian solvents Dodin, Dmitry V
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762 Influence of solvent perturbation on the radiative transition probability from the 1B1u state of pyrene Hara, Kiyoaki
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763 Influence of the guest molecule on the rotational potential for NH3 groups in Hofmann clathrates Vorderwisch, P
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764 Influence of the molecular environment in solution measurements of the Second-order optical susceptibility for urea and derivatives Ledoux, I.
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765 Influence of the Piepho-mode on charge ordering in mixed-valence biferrocenium salts Klokishner, Sophia
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766 Infrared absorption and Raman scattering of (Z)-3-hydroxypropenal. A density functional theoretical study Spanget-Larsen, Jens
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767 Infrared and Raman spectra, conformational stability, ab initio calculations, and vibrational assignments for cyclopropyldichlorosilane Durig, J.R
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768 Infrared and Raman spectra of a linear rotator in the fluctuating liquid cage model Serebrennikov, Yu.A.
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769 Infrared and Raman spectra of 4-(dimethylamino)benzonitrile and isotopomers in the ground state and vibrational analysis Okamoto, Hiromi
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770 Infrared chemiluminescent reactions of halogen atoms with hydrogen sulfide and methanethiol Dill, Bernd
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771 Infrared intensities of polyatomic molecules calculated from SCEP dipole-moment functions and anharmonic vibrational wavefunctions. I. Stretching vibrations of the linear molecules HCN, HCP and C2N2 Botschwina, Peter
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772 Infrared intensity measurements by ATR Chambers, J.G.
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773 Infrared laser driven double proton transfer. An optimal control theory study Abdel-Latif, Mahmoud K.
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774 Infrared matrix isolation and ab initio studies on isothiocyanic acid HNCS and its complexes with nitrogen and xenon Wierzejewska, Maria
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775 Infrared-optical double-resonance measurements of hydrogen-bonding interactions in clusters involving aminophthalimides Chen, Yu
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776 Infrared photoconversion between two forms of the CH3OH:HI one-to-one complex trapped in a nitrogen matrix Bakkas, N.
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777 Infrared spectra of hydrogen bonded organic molecules in the solid state: Width of OH stretching and librational modes in acetic acid Teragni, Paolo
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778 Infrared spectroscopic identification of digermene, Ge2H4(X1Ag), and of the digermenyl radical, Ge2H3(X2A″), together with their deuterated counterparts in low temperature germane matrices Carrier, William
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779 Inhibition, antiinhibition and enhancement of positronium formation in some different hydrocarbon—solute mixtures Wikander, Göran
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780 Inner-shell excitations of water molecule Rocha, Alexandre B.
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781 Integral equation theory of hard sphere liquids on two-dimensional cylindrical surfaces Iwaki, Takafumi
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782 Interaction-induced far infrared spectra of liquid CS2-CCl4 mixtures Potthast, Lothar
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783 Interaction potentials in rare gas-halide ion systems Kellö, Vladimir
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784 Interfacial effects in polymer LEDs Hu, Bin
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785 Intermediate coupling strength pre-dissociation of diatomic molecules: transition from diabatic to adiabatic case Qin, W.
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786 Intermolecular electronic coherences and local field effects in optical spectra of PPV-oligomer dimers Wagersreiter, Thomas
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787 Intermolecular potential for benzoic acid–water based on the test-particle model and statistical mechanical simulations of benzoic acid in aqueous solutions Sagarik, Kritsana
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788 Intermolecular spin—orbit coupling in triplet mini-excitons Akasheh, T.S.
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789 Internally folded densities Thakkar, Ajit J.
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790 Internal quantum state distributions of NH3 photodesorbed from Cu(111) at 6.4 eV Nessler, Winfried
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791 Interpretation of the photoelectron spectra of the azabenzenes by many-body calculations Von Niessen, W.
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792 Intra- and intermolecular hydrogen bonding in formohydroxamic acid complexes with water and ammonia: infrared matrix isolation and theoretical study Sałdyka, Magdalena
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793 Intra- and inter-molecular photoexcitations in a cyano-substituted poly(p-phenylenevinylene) Samuel, I.D.W.
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794 Intraband scattering in the exciton states of molecular crystals Leong, Baldwin
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795 Intramolecular and intermolecular redistribution of vibrational energy in MP IR excitation: CF2HCl molecule Doljikov, V.S.
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796 Intramolecular electron localization and local-density calculations on silicon-containing molecules: Tetramethylsilane and hexamethyldisilane Berkovitch-yellin, Z.
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797 Intramolecular motion of polystyrene in a theta mixed solvent by photon-correlation spectroscopy Jones, Gwynne
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798 Intramolecular vibrational energy redistribution in toluene: a nine-dimensional quantum mechanical study using the MCTDH algorithm Gatti, Fabien
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799 Investigation of structure–property relationships of multi-branched two-photon absorption chromophores based on π-conjugation core Yang, Jia-Xiang
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800 Investigation of T 1- and T 2-relaxation under the influence of a pump radiation Schrepp, W.
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801 Investigation of the chemical reactions H + H2 and H + D2 by a hydrogen maser Gordon, E.B.
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802 Investigation of the electronic structure of the TCNQ-TTF system Karpfen, A.
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803 Investigation of the interaction between molecules at medium distances Otto, P.
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804 Investigation of the predissociation of SO2: state selective detection of the SO and O fragments Becker, S.
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805 Investigation of vibrational states of the ArHCl+ cation in the electronic ground state Zuhrt, Ch.
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806 Ionization potentials of alkali atoms: towards meV accuracy Eliav, Ephraim
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807 Ionization spectra of XONO2 (X=F, Cl, Br, I) studied by the SAC–CI method Ehara, Masahiro
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808 Ion-molecule reactions of O+ with CH4 Ottinger, Ch.
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809 Ion pairing of bisdimethylamino pentamethinecyanine perchlorate and its consequences on the cis-trans photoisomerization dynamics Ponterini, Glauco
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810 Ion solvation dynamics in an interaction-site model solvent Raineri, Fernando O.
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811 IR-dip and IR–UV hole-burning spectra of jet-cooled 4-aminobenzonitrile–(H2O)1. Observation of π-type and σ-type hydrogen-bonded conformers in the CN site Sakota, Kenji
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812 IR-induced rotamerization of 1-propanol in low-temperature matrices, and ab initio calculations Lotta, T.
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813 IR spectrum of HCF2CF2Br: hindered intramolecular vibrational energy redistribution Fuß, W.
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814 Isomeric structures, van der Waals frequencies and spectral shifts of cold 4-fluorostyrene-(argon) n clusters (n = 1 to 4) Piccirillo, S.
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815 Isotope effects in the reaction X + F2 → XF + F(X = Mu, H, D, T): A quantum mechanical and information theoretic investigation Connor, J.N.L.
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816 Isotope effects on the stability of the nitrogen—acetylene van der Waals dimer McDowell, Sean A.C.
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817 Isotopic effect in the absorption spectra of naphthalene crystal Sheka, E.F.
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818 Isotopic field shift in the transition A 0+ +—X1∑+ of PbS Knöckel, H.
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819 Isotopic field shift of the rotational energy of the Pb-chalcogenides and Tl-Halides Schlembach, J.
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820 Isotropic and anisotropic Raman spectra of interacting modes in liquids Bródka, A.
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821 Is the CO frequency shift a reliable indicator of coumarin binding to metal ions through the carbonyl oxygen? Georgieva, Ivelina
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822 Jahn–Teller effect in coronene monoanion: A comparative study with corannulene monoanion Sato, Tohru
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823 Jahn-Teller effect in transition metal ions: a parametrization method based on the angular overlap model Bacci, M.
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824 Kerr effect in the critical solutions of Decyl Alcohol Pyz˚uk, Wieslaw
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825 Kinetic model for microwave-induced optical nuclear spin alignment of nuclei with I ⩾ 1 Von Borczyskowski, C.
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826 Kinetics of chemical short-range ordering in liquids and diffusion-controlled reactions Burlatsky, S.F.
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827 Kinetics of photochemical H-abstraction by 3ππ*-acridine in fluorene single crystals as studied by triplet-triplet absorption Prass, B
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828 Kinetics of the cw infrared laser induced reaction of CH3CF2Cl Zitter, R.N.
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829 Kinetics of the delayed luminescence decay of 1,2-benzanthracene in polystyrene films Burkhart, R.D.
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830 Kinetics of the reaction OH + NO + M → HONO + M as a function of temperature and pressure in the presence of argon, SF6, and N2 bath gas Zabarnick, Steven
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831 Kinetic studies of the H2(a3Σ+ g→ b2Σ+ u) continuum emission of an ArH2 mixture pumped by e-beam Godart, J.
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832 Kinetic study of the electron transfer process between Ru(NH3)5pz2+ and S2O8 2− in water–cosolvent mixtures: a new component of reorganization energy Sánchez, F.
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833 Kinettc observations on the E region states of iodine excited by two-photon spectroscopy King, G.W.
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834 83Kr nuclear quadrupole coupling in KrClF Buxton, L.W.
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835 K-shell excitations of BF3, CF4 and MBF4 compounds Schwarz, W.H.E.
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836 L-Alanyl-L-alanine in the zwitterionic state: structures determined in the presence of explicit water molecules and with continuum models using density functional theory Knapp-Mohammady, M
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837 Large amplitude hamiltonians for internal motion in AX3 molecules. Inversion-rotation and stretching modes of NH3 Wallace, R.
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838 Large configuration interaction calculations of nuclear spin-spin coupling constants Kowalewski, J.
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839 Large-scale electron correlation calculations in the framework of the spin-free dirac formalism: the Au2 molecule revisited Fleig, T.
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840 Laser driven channels of reactive collisions in Na plus Cd vapors Allegrini, M.
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841 Laser driven hydrogen tunneling in a dissipative environment Naundorf, H.
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842 Laser-induced alkali atom desorption from thin sodium films on quartz prisms Brewer, Jonathan
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843 Laser-induced fluorescence of N2(X 1Σg +) and electron-impact excited N2 + (X 2Σg +) in a pulsed supersonic beam: Rotational distributions Helvajian, H.
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844 Laser induced fluorescence study of first part of a Na/Na2 free jet expansion: dimer formation and excitation-energy transfer Aerts, F.
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845 Laser induced photodissociation of iodine molecules. Spin-orbit relaxation of I(2P 1 2 ) Arnold, I.
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846 Laser-initiated chain reactions and microexplosions in solid solutions of methylcyclopropane and chlorine Tague Jr., T.J.
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847 Laser pulse control of bridge mediated heterogeneous electron transfer Wang, Luxia
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848 Laser spectroscopy of the AO+ −X1Σ+ system of TlCl Wolf, U.
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849 Lattice dynamics of molecular crystals using atom—atom and multipole—multipole potentials Neto, N.
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850 Lattice vibrations of succinic anhydride Bougeard, D.
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851 LCAO expansion in a spline basis for accurate variational determination of continuum wavefunctions. Applications to H+ 2 and HeH2+ Brosolo, M.
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852 LEED crystallographic determination for the restructured surface formed by phosphorus bonded at Cu(110) Liu, W.
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853 Legitimate calculation of first-order molecular properties in the case of limited CI functions. Dipole moments Diercksen, Geerd H.F.
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854 Lie algebraic method for vibrational and rotational transitions in inelastic collisions of a molecule with a solid surface Guan, Daren
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855 Lifetimes and on–off distributions for single-molecule kinetics. Stochastic approach and extraction of information from experimental data Vlad, Marcel O.
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856 Lifetimes and transition moment of the A-X band system of Bi2 Ehret, G.
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857 Light absorption in collinear collisions of atoms with diatomic molecules Medvedev, E.S.
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858 Linear and nonlinear optical response of dimethyl-amino-nitro-stilbene (DANS): coupled oscillator representation versus sum-over-states picture Beljonne, D.
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859 Linear Langevin equation with time-dependent drift and multiplicative noise term: exact study Fa, Kwok Sau
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860 Linear reactor-infrared matrix and microwave spectroscopy of the gas phase ethylene ozonolysis Kühne, H.
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861 Linear response at the 4-component relativistic density-functional level: application to the frequency-dependent dipole polarizability of Hg, AuH and PtH2 Salek, Pawel
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862 Linear response calculations of electronic g-factors and spin-rotational coupling constants for diatomic molecules with a triplet ground state Engström, Maria
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863 Linear response theory and IR spectral density of direct damped weak H-bonds: validity of adiabatic approximation Blaise, Paul
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864 Line broadening in a polymer glass as investigated by stimulated photon echo spectroscopy: spectral diffusion versus heating effects Zilker, S.J.
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865 Line-shape analysis of optical spectra in metaphosphate glasses doped with erbium ions Pinelli, S.
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866 Lineshape theory and photon counting statistics for blinking quantum dots: a Lévy walk process Jung, YounJoon
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867 Line strength in 1Σ+ → 3Σ− emissions of some diatomic radicals Di Stefano, G.
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868 Liquid ESCA measurements and ECP calculations on the 3d spectrum of I3 − Arbman, Mats
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869 Liquid–vapour interfaces of aqueous trimethylamine-N-oxide solutions: A molecular dynamics simulation study Paul, Sandip
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870 Local density calcuations on silicon-containing molecules. I. Silyl Chlorides Andersen, Poul R.
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871 Local description of a polyenic radical cation Karafiloglou, P.
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872 Local excitations in statistical systems, dynamics and supercollisional effects Oref, Izhack
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873 Localisation vs. delocalisation in the dimeric mixed-valence clusters in the generalised vibronic model. Magnetic manifestations Borrás-Almenar, J.J
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874 Long-range charge transfer in periodic DNA through polaron diffusion Chang, Chun-Min
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875 Low energy dynamics, isotopic effects and detailed microscopic reaction mechanism of the ion-molecule reaction N+ (3P) + H2 → NH+ + H González, Miguel
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876 Low-energy excitations of guest molecules in clathrates and the Boson peak Johari, G.P.
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877 Low frequency vibrations in solid n-butane and n-hexane by incoherent inelastic neutron scattering Takeuchi, H.
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878 Low-lying electronic states of SF2 and its ions as studied by the MRCI technique Czernek, Jiří
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879 Low-temperature vibronic spectra of 1, 1′-binaphthyl Riley, Mark J.
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880 Luminescence from mixtures of mercury vapour and nitrogen following pulsed excitation with resonance radiation Callear, Anthony B.
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881 Luminescence of poly(N-vinylcarbazole) films at 77 K. I. Fluorescence, phosphorescence and delayed fluorescence Rippen, Gerd
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882 Luminescence of poly(n-vinyl-carbazole) films at 77 K. II. Kinetic model of exciton trapping and annihilation Klöpffer, Walter
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883 Luminescence studies of Cr3+ doped MgAl2O4 nanocrystalline powders Głuchowski, P.
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884 Luminescent charge transfer of metastable and ground state C+, N+, ions with N2 molecules Ottinger, Ch.
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885 Lévy flights in a quenched jump length field: a 1-loop renormalization group approach Schulz, Michael
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886 Lévy flights in external force fields: from models to equations Brockmann, D.
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887 Magnetic field effect on the H2CS fluorescence from the first excited singlet state A ̃ 1 A 2 Makarov, Vladimir I.
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888 Magnetic field effect on the S and L components in sulfur dioxide fluorescence Makarov, V.I.
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889 Magnetic isotope effect and oxygen isotope selection in oxidation chain reactions Yasina, L.L.
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890 Magnetic moments and electron heat capacity of charge-ordered high-spin Fe(II)Fe(III)-dimers Koryachenko, A.V.
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891 Magnetic properties of Langmuir–Blodgett films – a theoretical study. II. Langmuir films of polymethine radicals Tyutyulkov, N.
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892 Magnetization exchange network editing: mathematical principles and experimental demonstration Zolnai, Zsolt
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893 Many-body effects in nonlinear spectroscopy: a time-dependent transformation approach Perakis, I.E.
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894 Many-particle tunnelling in a driven Bosonic Josephson junction Jinasundera, Tharanga
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895 Mass analyzed threshold ionization spectroscopy of 3-aminopyridine cation and vicinal substitution effect Lin, Jung Lee
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896 Massively parallel Hamiltonian action in pseudospectral algorithms applied to quantum dynamics of laser induced desorption Borowski, S
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897 Mass spectra and structures of Cu+Rg n clusters (Rg=Ne, Ar) Froudakis, George E.
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898 Master equation description of the multiphoton decomposition of ethyl acetate Eberhardt, J.E.
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899 Matrix elements of the Boltzmann collision operator for gas mixtures Lindenfield, Michael J.
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900 Matrix isolation/aggregation of sodium atoms and molecules formed in a supersonic nozzle beam Hofmann, Manfred
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8 p.
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901 Matrix isolation and theoretical studies of ONNO: Assignment of a new combination band and density functional calculations Canty, John F.
 1997
 1-10 1-2 p. 81-89
9 p.
 artikel
902 Matrix isolation in photoelectron spectroscopy Potts, A.W.
 1992
 1-10 1-2 p. 281-288
8 p.
 artikel
903 Matrix-isolation spectroscopy of small antimony clusters Sontag, H.
 1982
 1-10 1-2 p. 23-28
6 p.
 artikel
904 Matrix-isolation study of the decomposition of CF3NNCF3 by photons and by excited rare-gas atom bombardment at energies between 4.9 and 16.8 eV Jacox, Marilyn E.
 1984
 1-10 1-2 p. 171-180
10 p.
 artikel
905 Matrix isolation study of the reaction of fluorine atoms with the trifluoromethyl halides, Infrared spectroscopic evidence for the CF3XF free radicals Jacox, M.E.
 1980
 1-10 1-2 p. 69-76
8 p.
 artikel
906 MCSCF linear response study of the three-body dissociative recombination CH2 ++e→C+2H Minaev, Boris F.
 2002
 1-10 1-2 p. 15-30
16 p.
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907 Mechanism enabling the observation of the formally optically-forbidden 2 A g - and 1 B u - states in resonance-Raman excitation profiles of spheroidene in KBr disc Nagae, Hiroyoshi
 2010
 1-10 1-2 p. 145-152
8 p.
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908 Mechanism for the appearance of H+ by electroionization of CH4. A surprisal analysis Momigny, J.
 1986
 1-10 1-2 p. 275-280
6 p.
 artikel
909 Mechanisms of nuclear magnetic relaxation in cyanoacetylene Szeverenyi, Nikolaus M.
 1976
 1-10 1-2 p. 23-30
8 p.
 artikel
910 Membrane dynamics and structure factor Zilman, Anton G.
 2002
 1-10 1-2 p. 195-204
10 p.
 artikel
911 Metal carbonyl photochemistry in organic solvents: Femtosecond transient absorption and preliminary resonance Raman spectroscopy Joly, Alan G.
 1991
 1-10 1-2 p. 69-82
14 p.
 artikel
912 Metastable states observable in the mass spectrum of H2 Peek, James M.
 1975
 1-10 1-2 p. 46-55
10 p.
 artikel
913 Methyl group dynamics above the glass transition temperature: a molecular dynamics simulation in polyisoprene Alvarez, F.
 2000
 1-10 1-2 p. 47-59
13 p.
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914 Methyl radicals migration in glassy ethanol-1,2d 5 at 90 K as studied by hydrogen atom abstraction from the additives Vyazovkin, Vladimir L.
 1997
 1-10 1-2 p. 135-145
11 p.
 artikel
915 Microphone detection of pulsed atomic and molecular beams Choi, J.G.
 1982
 1-10 1-2 p. 19-25
7 p.
 artikel
916 Microsolvation of Cl anion by water clusters: Pertubative Monte Carlo simulations using a hybrid HF/MM potential Truong, Thanh N.
 1997
 1-10 1-2 p. 31-36
6 p.
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917 Microsolvation of the ammonia cation in argon: I. Ab initio and density functional calculations of NH3 +–Ar n (n=0–5) Dopfer, Otto
 2002
 1-10 1-2 p. 63-84
22 p.
 artikel
918 Microsolvation of the ammonia cation in argon: II. IR photodissociation spectra of NH3 +–Ar n (n=1–6) Dopfer, Otto
 2002
 1-10 1-2 p. 85-110
26 p.
 artikel
919 Microtubules, motor proteins, and anomalous mean squared displacements Salman, Hanna
 2002
 1-10 1-2 p. 389-397
9 p.
 artikel
920 Microwave spectra of, and ab initio calculations for, the Ne2–NH3 van der Waals trimer van Wijngaarden, Jennifer
 2002
 1-10 1-2 p. 29-46
18 p.
 artikel
921 Microwave spectra of ground and excited vibrational states of cis-methyl nitrite, CH3ONO Ghosh, Pradip N.
 1980
 1-10 1-2 p. 39-50
12 p.
 artikel
922 Microwave spectroscopy of supersonic molecular beams: Single- and double-resonance experiments with OCS and HCCCN Zivi, H.S.
 1984
 1-10 1-2 p. 1-18
18 p.
 artikel
923 Microwave spectrum and internal rotations of ethylene glycol. I. Glycol-O-d 2 Walder, E.
 1980
 1-10 1-2 p. 223-239
17 p.
 artikel
924 Millimeter wave spectrum of so in highly excited vibrational states: Vibrational and isotopic dependence of molecular constants Bogey, M.
 1982
 1-10 1-2 p. 99-104
6 p.
 artikel
925 Model calculations of local exciton levels in the C60 fullerene crystals doped with endohedral fullerides M@C60 Eilmes, Andrzej
 1998
 1-10 1-2 p. 67-72
6 p.
 artikel
926 Modeling nonlinear optical properties of inorganic complexes. Counterion effects Cundari, Thomas R.
 1999
 1-10 1-2 p. 205-214
10 p.
 artikel
927 Modeling of the fast photoisomerisation process in polymethine dyes Rentsch, S.K.
 1982
 1-10 1-2 p. 81-87
7 p.
 artikel
928 Modelling molecular vibrations in extended hydrogen-bonded networks – crystalline bases of RNA and DNA and the nucleosides Plazanet, M.
 2002
 1-10 1-2 p. 53-70
18 p.
 artikel
929 Modelling of relaxation measurements on highly vibrationally excited HD using direct overtone pumping and photoacoustic detection Rohlfing, Eric A.
 1980
 1-10 1-2 p. 121-130
10 p.
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930 Modelling the substitution effects of several rhodium(III) transition metal complexes using the angular overlap model Gilliams, Ben
 1998
 1-10 1-2 p. 91-103
13 p.
 artikel
931 Models of three and four body electron attachment to O2 molecules McMahon, D.R.A.
 1982
 1-10 1-2 p. 67-84
18 p.
 artikel
932 Modified simple bond charge model of a diatomic molecule to satisfy the virial and Hellmann—Feynman theorems Nalewajski, Roman F.
 1979
 1-10 1-2 p. 89-94
6 p.
 artikel
933 Modified version of the trajectory surface leaking method for dynamical calculations on autoionizing atom-diatom collision systems Vojtík, J.
 1991
 1-10 1-2 p. 67-74
8 p.
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934 Modulation of the electronic states of 2-D single carrier quantum dots due to presence of hole doped impurity perturbations Hazra, Ram Kuntal
 2008
 1-10 1-2 p. 61-71
11 p.
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935 Molecular beam chemiluminescence: Excitation functions for reactions of barium atoms with NO2-monomers and (NO2) n ,-clusters Wren, David J.
 1982
 1-10 1-2 p. 85-92
8 p.
 artikel
936 Molecular beam diagnostics by Raman scattering Luijks, G.
 1981
 1-10 1-2 p. 217-229
13 p.
 artikel
937 Molecular beam infrared spectroscopy and intramolecular dynamics of SF5CCH in the region of the fundamental and first overtone of the acetylenic CH stretch Becucci, Maurizio
 1994
 1-10 1-2 p. 11-19
9 p.
 artikel
938 Molecular beam study of the chemi-ionization in the reactive scattering of Ca and Sr with Cl2 and Br2 at collision energies E c.m. s< 4.5 eV Meyer, H.-J.
 1984
 1-10 1-2 p. 185-194
10 p.
 artikel
939 Molecular beam study of the K+C2H5I→KI+C2H5 reaction cross section from 0.17 eV to 0.55 eV (c.m.) Moleres, F.J. Aoiz
 1981
 1-10 1-2 p. 61-73
13 p.
 artikel
940 Molecular dynamics computer simulation of liquid dichloromethane. I. Equilibrium properties Ferrario, Mauro
1-10 1-2 p. 141-145
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941 Molecular dynamics in hydrated sodium alginate by quasielastic and elastic neutron scattering Tripadus, V.
 2009
 1-10 1-2 p. 30-37
8 p.
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942 Molecular dynamics simulation of a channel type inclusion compound: comparison with neutron scattering experiments Morelon, N.-D
 2000
 1-10 1-2 p. 75-88
14 p.
 artikel
943 Molecular dynamics simulation of NaCl solutions in methanol—water mixtures. Intramolecular vibrations of the solvent components Hawlicka, Ewa
 1997
 1-10 1-2 p. 49-55
7 p.
 artikel
944 Molecular dynamics simulation of the adsorption of benzene on charged metal electrodes in the presence of aqueous electrolyte Philpott, Michael R.
 1995
 1-10 1-2 p. 53-61
9 p.
 artikel
945 Molecular dynamics simulations of restricted primitive model 1:1 electrolytes Heyes, D.M.
 1982
 1-10 1-2 p. 155-163
9 p.
 artikel
946 Molecular dynamics simulation study of cyclohexane guest molecules in the cyclohexane/thiourea inclusion compound Soetens, Jean-Christophe
 2000
 1-10 1-2 p. 125-135
11 p.
 artikel
947 Molecular dynamics study of cyclohexane interconversion Wilson, Michael A.
 1990
 1-10 1-2 p. 11-20
10 p.
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948 Molecular dynamics study on the phase diagrams of linear and branched chain molecules Ouyang, Wen-Ze
 2008
 1-10 1-2 p. 52-60
9 p.
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949 Molecular electric field level crossing spectroscopy: the dipole moment in the A 1Σ+ state of BaO Dohnt, Gerhard
 1979
 1-10 1-2 p. 183-190
8 p.
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950 Molecular interactions: a study of charge transfer effects Amovilli, Claudio
 1995
 1-10 1-2 p. 71-77
7 p.
 artikel
951 Molecular modelling study for chiral separation of equol enantiomers by β-cyclodextrin Alvira, E
 1999
 1-10 1-2 p. 101-108
8 p.
 artikel
952 Molecular motion in the benzene-aniline system Abramczyk, H.
 1981
 1-10 1-2 p. 177-182
6 p.
 artikel
953 Molecular motions in liquid crystal BBBA (4O.4): QENS study Mitra, S.
 2000
 1-10 1-2 p. 149-156
8 p.
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954 Molecular motions in molecular glasses as studied by thermally stimulated depolarisation currents (TSDC) Correia, Natália T
 2000
 1-10 1-2 p. 151-163
13 p.
 artikel
955 Molecular orbital models of benzene, biphenyl and the oligophenylenes Bursill, Robert J.
 1999
 1-10 1-2 p. 35-44
10 p.
 artikel
956 Molecular reorientation of cyanoacetylene in hydrocarbon solutions Szeverenyi, Nikolaus M.
 1976
 1-10 1-2 p. 31-36
6 p.
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957 Molecular structure of 4-amino-1,2,4-triazol-5-one and a density-functional theoretical investigation of its dimers and crystal band structure Ma, Haixia
 2008
 1-10 1-2 p. 79-89
11 p.
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958 Molecular Zeeman effect in fluoroform and methyl chloride by beam maser spectroscopy Ellenbroek, A.W.
 1978
 1-10 1-2 p. 227-238
12 p.
 artikel
959 Molecule-radiation and molecule-molecule processes in condensed media: a microscopic QED theory Juzeliūnas, Gediminas
 1995
 1-10 1-2 p. 145-158
14 p.
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960 Moment analysis of the mori continued fraction: Dipolar absorption in bromoethane and 1-bromonaphthalene Davies, G.J.
 1981
 1-10 1-2 p. 73-81
9 p.
 artikel
961 Momentum distributions and ionization potentials for the valence orbitals of benzene Fuss, I.
 1981
 1-10 1-2 p. 19-30
12 p.
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962 Monte Carlo and molecular orbital study of solvent effect on the electronic structure and hyperfine coupling constants of the (CH3)2NO radical: the effect of electron transfer between the solute and solvent molecules Yagi, Toru
 1998
 1-10 1-2 p. 1-7
7 p.
 artikel
963 Monte Carlo and molecular orbital study of the (CH3)2NO radical in solution Takase, Hideto
 1994
 1-10 1-2 p. 57-62
6 p.
 artikel
964 Monte Carlo calculations of classical density of states for non-separable polyatomic potential energy surfaces Farantos, S.C.
 1982
 1-10 1-2 p. 109-117
9 p.
 artikel
965 Monte Carlo simulation of multiple chain systems: The concentration dependence of osmotic pressure in two- and three-dimensional spaces Khalatur, P.G.
 1984
 1-10 1-2 p. 97-104
8 p.
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966 Monte Carlo simulation of the aggregation of rod–flexible triblock copolymers in a thin film Cui, Jie
 2006
 1-10 1-2 p. 1-9
9 p.
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967 Monte-Carlo simulations of geminate electron–hole pair dissociation in a molecular heterojunction: a two-step dissociation mechanism Offermans, Ton
 2005
 1-10 1-2 p. 125-133
9 p.
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968 Motional effects on optimum coherence transfer in 2 H MAS NMR spectroscopy Kristensen, J.H.
 2000
 1-10 1-2 p. 97-113
17 p.
 artikel
969 Motions of CH2COOH and CH(COOH)2 radicals trapped in malonic acid single crystals determination of the 13C coupling tensors corresponding to the motionless radicals Bonazzola, L.
 1975
 1-10 1-2 p. 213-221
9 p.
 artikel
970 Mössbauer effect study on low-spin 1A1 ⇌ high-spin 5T2 transition in tris(2-picolylamine) iron chloride I. Dilution effect in [Fe x Zn1-x (2-pic)3]Ch2·C2H5OH Sorai, M.
 1976
 1-10 1-2 p. 199-209
11 p.
 artikel
971 Mōssbauer study of rare-gas matrix-isolated 57FeCl2, 57FeBr2 and 57Fe2Cl6 Litterst, F.J.
 1978
 1-10 1-2 p. 89-95
7 p.
 artikel
972 Multi-arrangement quantum dynamics in 6D: cis–trans isomerization and 1,3-hydrogen transfer in HONO Luckhaus, David
 2004
 1-10 1-2 p. 79-90
12 p.
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973 Multichannel quantization for molecular systems. I. Bound states studies Atabek, O.
 1980
 1-10 1-2 p. 199-210
12 p.
 artikel
974 Multi-configurational complex molecular orbital method Hendeković, Josp
 1979
 1-10 1-2 p. 67-80
14 p.
 artikel
975 Multiconfiguration wavefunctions and rotation-vibration analysis for the two lowest 3Π states of NH Banerjee, A.
 1978
 1-10 1-2 p. 119-127
9 p.
 artikel
976 Multidimensional symmetric anomalous diffusion Uchaikin, Vladimir V.
 2002
 1-10 1-2 p. 507-520
14 p.
 artikel
977 Multimode Jahn–Teller and pseudo-Jahn–Teller coupling effects in the photoelectron spectrum of CH3F Mahapatra, S.
 2004
 1-10 1-2 p. 17-34
18 p.
 artikel
978 Multi-mode–multi-state quantum dynamics of key five-membered heterocycles: spectroscopy and ultrafast internal conversion Köppel, H.
 2004
 1-10 1-2 p. 35-49
15 p.
 artikel
979 Multiphoton decomposition of 10BCl3 and 11BCl3 by CO2 TEA laser Ishikawa, Yo-ichi
 1980
 1-10 1-2 p. 143-149
7 p.
 artikel
980 Multiphoton dissociation of some volatile uranyl complexes. II. Frequency and isotopic effects Eeberhardt, J.E.
1-10 1-2 p. 51-59
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981 Multiphoton dissociation of some volatile uranyl complexes. I. The phenomena of reversible and permanent dissociation Eberhardt, J.E.
1-10 1-2 p. 41-49
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982 Multiphoton ionization and fragmentation mechanism of CS2 Seaver, Mark
 1982
 1-10 1-2 p. 63-68
6 p.
 artikel
983 Multiphoton ionization and fragmentations of acetone and cyclic ketones: Effects of one-photon dissociation Baba, Masaaki
 1984
 1-10 1-2 p. 221-233
13 p.
 artikel
984 Multiple bonds to gold: a theoretical investigation of XAuC (X=F, Cl, Br, I) molecules Puzzarini, Cristina
 2005
 1-10 1-2 p. 177-186
10 p.
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985 Multiple pathways of tryptophan photoionization Grossweiner, Leonard I.
 1981
 1-10 1-2 p. 147-155
9 p.
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986 Multiple photon dissociation of polyatomic molecules under vibrational deactivation by a buffer gas Kuzmin, M.V.
 1984
 1-10 1-2 p. 115-124
10 p.
 artikel
987 Multiple-scattering Xα calculations of the electronic structure of Co(CN)5OH3- and related photochemical properties Goursot, Annick
 1981
 1-10 1-2 p. 83-93
11 p.
 artikel
988 Muonium-substituted organic free radicals in liquids. Muon-electron hyperfine coupling constants and the selectivity of formation of methyl and fluorine-substituted cyclohexadienyl type radicals Roduner, Emil
 1982
 1-10 1-2 p. 117-130
14 p.
 artikel
989 Natural states of interacting systems and their use for the calculation of intermolecular forces Maeder, F.
 1979
 1-10 1-2 p. 95-112
18 p.
 artikel
990 Natural states of interacting systems and their use for the calculation of intermolecular forces. V. Three-body coefficients Vigné-Maeder, F.
 1980
 1-10 1-2 p. 193-197
5 p.
 artikel
991 Nature of the magnetic interaction of Wurster's radicals in the solid state Dietz, F.
 1997
 1-10 1-2 p. 43-48
6 p.
 artikel
992 Near- and non-resonant (VV) energy transfer between molecules dissolved in liquid krypton: a comparison with liquid argon Andrew, J.J.
 1991
 1-10 1-2 p. 247-258
12 p.
 artikel
993 Near-edge core photoabsorption in polyacenes: model molecules for graphite Ågren, Hans
 1995
 1-10 1-2 p. 47-58
12 p.
 artikel
994 Nematic states in the order triangle Schönhofer, A.
 1990
 1-10 1-2 p. 211-218
8 p.
 artikel
995 Ne matrix spectra of the sym-C6Br3F3 + radical cation Bondybey, V.E.
 1981
 1-10 1-2 p. 9-16
8 p.
 artikel
996 Net CIDNP in geminate radical pair recombination in viscous liquids. Comparison of theory and experiment for high magnetic fields Shushin, A.I.
 1991
 1-10 1-2 p. 133-141
9 p.
 artikel
997 Neutron and light scattering study of relaxation dynamics in a glass-forming fragile molecular liquid Börjesson, L.
 1990
 1-10 1-2 p. 209-220
12 p.
 artikel
998 New I2 emission from iodine atom recombination reaction Stephan-Rossbach, K.-H.
 1983
 1-10 1-2 p. 121-128
8 p.
 artikel
999 New insight into the structure, internal rotation barrier and vibrational analysis of 2-fluorostyrene Tuttolomondo, María Eugenia
 2009
 1-10 1-2 p. 94-105
12 p.
 artikel
1000 New propagator schemes for explicitly time-dependent hamiltonians: applications to the multiphoton dissociation dynamics of diatoms and quantum adiabatic processes Adhikari, S.
 1998
 1-10 1-2 p. 25-45
21 p.
 artikel
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