Journal of Chemical Physics

Journal of Chemical Physics, Vol.113, No.3 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (48 articles)

895 - 898	Linear and centrosymmetric N-2 center dot center dot center dot Ar+center dot center dot center dot N-2 Linnartz H, Verdes D, Knowles PJ, Lakin NM, Rosmus P, Maier JP
899 - 902	On the correlation between photoelectron energy and bending excitation in molecular photoionization Miller JS, Poliakoff ED
903 - 905	Static dielectric constant of aqueous electrolyte solutions: Is there any dynamic contribution? Chandra A
906 - 918	Complete reflection in two-state crossing and noncrossing potential systems Pichl L, Nakamura H, Horacek J
919 - 929	A Feynman path centroid dynamics approach for the computation of time correlation functions involving nonlinear operators Reichman DR, Roy PN, Jang S, Voth GA
930 - 935	New propagators for quantum-classical molecular dynamics simulations Jiang H, Zhao XS
936 - 947	Nuclear spin-spin coupling constants from regular approximate relativistic density functional calculations. I. Formalism and scalar relativistic results for heavy metal compounds Autschbach J, Ziegler T
948 - 956	Three-body exchange energies in H-3 and He-3 calculated by the surface integral method Kleinekathofer U, Sachse TI, Tang KT, Toennies JP, Yiu CL
957 - 970	Quantum reactive scattering in three dimensions: Using tangent-sphere coordinates to smoothly transform from hyperspherical to Jacobi regions Parker GA, Keil M, Morrison MA, Crocchianti S
971 - 978	Photodissociation of cyclic HF complexes: Pentamer through heptamer Oudejans L, Miller RE
979 - 986	Nonideal rotations in nuclear magnetic resonance: Estimation of coherence transfer leakage Jerschow A
987 - 993	The vibrations of H2O2, studied by "multimode," with a large amplitude motion Carter S, Handy NC
994 - 1004	Angular resolved studies of the Lyman-alpha photodissociation of HCN and DCN: New dynamical insights Cook PA, Langford SR, Ashfold MNR, Dixon RN
1005 - 1017	Direct vibrational self-consistent field method: Applications to H2O and H2CO Yagi K, Taketsugu T, Hirao K, Gordon MS
1018 - 1026	Quantum reaction dynamics of O(P-3) plus HCl on a new ab initio potential energy surface Nobusada K, Nakamura H, Lin YJ, Ramachandran B
1027 - 1034	Hybrid quantum/classical study of ICN in an Ar matrix: Photofragmentation and cage exit Alberti SF, Echave J, Engel V, Halberstadt N, Beswick JA
1035 - 1045	Study of tin- and tin cluster-cyano complexes using anion photoelectron spectroscopy and density functional calculations Moravec VD, Jarrold CC
1046 - 1054	Theoretical study of the electronic structure of carbon dioxide: Bending potential curves and generalized oscillator strengths Buenker RJ, Honigmann M, Liebermann HP, Kimura M
1055 - 1060	Normal modes of vibration of the C-60 isotopomers C-12(59) C-13 and C-12(58) C-13(2) Soto JR, Calles A, Moran-Lopez JL
1061 - 1066	Collision induced fragmentation of small ionic sodium clusters. II. Three-body fragmentation Barat M, Brenot JC, Dunet H, Fayeton JA, Picard YJ
1067 - 1074	Time-resolved photoelectron angular distributions as a probe of intramolecular dynamics: Connecting the molecular frame and the laboratory frame Underwood JG, Reid KL
1075 - 1080	Structural and energetic properties of the Br--C2H2 anion complex from rotationally resolved mid-infrared spectra and ab initio calculations Wild DA, Milley PJ, Loh ZM, Wolynec PP, Weiser PS, Bieske EJ
1081 - 1087	Coherence transfer by single-transition cross-polarization: Quantitation of cross-correlation effects in nuclear magnetic resonance Ferrage F, Eykyn TR, Bodenhausen G
1088 - 1096	Multiple simultaneous distance determinations: Application of rotational echo double resonance nuclear magnetic resonance to IS2 spin networks Liivak O, Zax DB
1097 - 1103	Solvation effects in large binary van der Waals clusters with high doping rates Vach H
1104 - 1109	A combined discrete/continuum solvation model: Application to glycine Bandyopadhyay P, Gordon MS
1110 - 1125	Screening of a charged particle by multivalent counterions in salty water: Strong charge inversion Nguyen TT, Grosberg AY, Shklovskii BI
1126 - 1134	Temperature dependent relaxation and recombination dynamics of the hydrated electron Madsen D, Thomsen CL, Thogersen J, Keiding SR
1135 - 1142	Solution of the associative mean spherical approximation for a multicomponent dimerizing hard-sphere multi-Yukawa fluid Kalyuzhnyi YV, Blum L, Rescic J, Stell G
1143 - 1153	A comprehensive light scattering study of the glass former toluene Wiedersich J, Surovtsev NV, Rossler E
1154 - 1161	The aqueous solvation of sodium chloride: A Monte Carlo transition path sampling study Marti J, Csajka FS
1162 - 1169	Polarized infrared study on the structure of two-dimensional nanoclusters of partially fluorinated long-chain fatty acid salts at ambient and elevated temperatures Ren YZ, Iimura K, Kato T
1170 - 1176	Intrinsic optical bistablility of an ultrathin film consisting of oriented linear aggregates Malyshev VA, Glaeske H, Feller KH
1177 - 1183	The effect of strain on the adsorption of CO on Pd(100) Wu MW, Metiu H
1184 - 1193	The passage of small molecules through a water film supported by MgO(100): Transfer times from molecular dynamics simulations Toubin C, Hoang PNM, Picaud S, Girardet C
1194 - 1203	Analysis of plastic deformation in atomic force microscopy: Application to ice Butt HJ, Doppenschmidt A, Huttl G, Muller E, Vinogradova OI
1204 - 1216	Surface self-diffusion of hydrogen on Cu(100): A quantum kinetic equation approach Pouthier V, Light JC
1217 - 1227	Ultrahigh-vacuum multitechnique study of AuCN monolayers on Au(111) formed by electrochemical deposition Yamada T, Sekine R, Sawaguchi T
1228 - 1236	Hindered diffusion of colloidal particles very near to a wall: Revisited Bevan MA, Prieve DC
1237 - 1248	Characterizing nanoparticle interactions: Linking models to experiments Ramakrishnan S, Zukoski CF
1249 - 1257	On the viability of single atom abstraction in the dissociative chemisorption of O-2 on the Al(111) surface Neuburger ML, Pullman DP
1258 - 1267	Binary combination and overtone modes in the C-H stretch region in ethoxy adsorbed on Cu(100): Experimental and calculated vibrational spectra Asmundsson R, Uvdal P, MacKerell AD
1268 - 1275	Nucleation and growth of AgCl clusters in a sodium borate glass: Numerical analysis and SAXS results Schmelzer J, Lembke U, Kranold R
1276 - 1282	Hyperparallel tempering Monte Carlo simulation of polymeric systems Yan QL, de Pablo JJ
1283 - 1293	Simulation of heteropolymer collapse with an explicit solvent in two dimensions Polson JM, Zuckermann MJ
1294 - 1309	Extension of the Genkin and Mednis treatment for dynamic polarizabilities and hyperpolarizabilities of infinite periodic systems. I. Coupled perturbed Hartree-Fock theory Kirtman B, Gu FL, Bishop DM
1310 - 1314	Pressure-induced volume phase transition of polyacrylamide gels in acetone-water mixtures Kato E
1315 - 1317	On the convergence of global thermal properties of clusters extracted from simulations Calvo F, Guet C