Journal of Chemical Physics

Journal of Chemical Physics, Vol.109, No.3 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (45 articles)

869 - 872	Low temperature CO oxidation triggered by the gas-phase D atom incident on Pt(111) covered with O-2 and CO Kim JY, Lee J
873 - 880	Variational resonance valence bond study on the ground state of C-60 using the Heisenberg model Flocke N, Schmalz TG, Klein DJ
881 - 890	Rigorous formula for the fast calculation of the electron repulsion integral over the solid harmonic Gaussian-type orbitals Ishida K
891 - 894	Derivation of the phase factor and geometrical phase for an N-state degenerate system Baer M
895 - 905	Calculation of DFT-GIAO NMR shifts with the inclusion of spin-orbit coupling Wolff SK, Ziegler T
906 - 911	Laser spectroscopy of free pentacene molecules (I) : The rotational structure of the vibrationless S-1 <- S-0 transition Heinecke E, Hartmann D, Muller R, Hese A
912 - 918	The G (1)Pi(g) state of Li-7(2) revisited: Observation and analysis of high vibrational levels Urbanski K, Antonova S, Lyyra AM, Li L, Ji B
919 - 927	The effect of spin-orbit coupling the magnetic properties of H2Ti(mu-H)(2)TiH2 Webb SP, Gordon MS
928 - 931	Anomalous enrichment of C-2(+) ions by laser ablation of graphite in Ar jet Park SM, Chae H, Wee S, Lee I
932 - 936	Electron impact ionization of the hydroxyl radical Tarnovsky V, Deutsch H, Becker K
937 - 941	All the adiabatic bound states of NO2 Salzgeber RF, Mandelshtam V, Schlier C, Taylor HS
942 - 950	Theory for magnetic linear dichroism of electronic transitions between twofold-degenerate molecular spin levels Bominaar EL, Achim C, Peterson J
951 - 961	Investigations of pure rotational transitions of H-2 self-perturbed and perturbed by He. I. Measurement, modeling, and quantum calculations Michaut X, Saint-Loup R, Berger H, Dubernet ML, Joubert P, Bonamy J
962 - 972	A study of Ge-n(-) and Ge-n (n=2-6) using B3LYP-DFT and CCSD(T) methods: The structures and electron affinities of small germanium clusters Archibong EF, St-Amant A
973 - 977	Structures and stability of hydrated clusters of hydrogen chloride, HCl(H2O)(n), n=1-5 Re S, Osamura Y, Suzuki Y, Schaefer HF
978 - 987	Absorption and fluorescence of OClO (A)over-tilde (2)A(2)-(X)over-tilde B-2(1) in solid Ne, Ar, and Kr. I. Vibrationally unrelaxed (A)over-tilde ->(X)over-tilde emission Liu CP, Lai LH, Lee YY, Hung SC, Lee YP
988 - 996	Laser photolysis of OClO in solid Ne, Ar, and Kr. II. Site selectivity, mode specificity, and effects of matrix hosts Lai LH, Liu CP, Lee YP
997 - 1003	The ground state spectroscopic parameters and molecular geometry of SbH3 Fusina L, Di Lonardo G, De Natale P
1004 - 1013	Mode-specific tunneling splittings in 9-hydroxyphenalenone: Comparison of two methods for direct tunneling dynamics Fernandez-Ramos A, Smedarchina Z, Zgierski MZ, Siebrand W
1014 - 1024	Dynamics of tautomerism in porphine: An instanton approach Smedarchina Z, Zgierski MZ, Siebrand W, Kozlowski PM
1025 - 1040	Vibronic structure of the valence pi-photoelectron bands in furan, pyrrole, and thiophene Trofimov AB, Koppel H, Schirmer J
1041 - 1051	Vibrational structure in the carbon 1s ionization of hydrocarbons: Calculation using electronic structure theory and the equivalent-cores approximation Thomas TD, Saethre LJ, Sorensen SL, Svensson S
1052 - 1061	Generalized thermodynamic perturbation theory for polyatomic fluid mixtures. I. Formulation and results for chemical potentials Smith WR, Nezbeda I, Strnad M, Triska B, Labik S, Malijevsky A
1062 - 1069	Crystallization of dipolar hard spheres: Density functional results Klapp S, Forstmann F
1070 - 1073	Thermodynamics of water-cubic ice and other liquid-solid coexistence in nanometer-size particles Johari GP
1074 - 1083	Nonlinear response in ionic solvation: A theoretical investigation Hyun JK, Ichiye T
1084 - 1092	Theory of time-resolved fluorescence under the interaction of energy transfer in a bichromophoric system: Effect of internal rotations of energy donor and acceptor Tanaka F
1093 - 1100	Phase equilibria of the modified Buckingham exponential-6 potential from Hamiltonian scaling grand canonical Monte Carlo Errington JR, Panagiotopoulos AZ
1101 - 1110	Theory for the ultrafast melting and fragmentation dynamics of small clusters after femtosecond ionization Garcia ME, Reichardt D, Bennemann KH
1111 - 1119	Electronic friction in proton tunneling at the electrochemical interface Sebastian KL
1120 - 1124	Order fluctuations of the director in nematic thermotropic liquid crystals studied by nuclear magnetic resonance dipolar relaxation Zamar RC, Anoardo E, Mensio O, Pusiol DJ, Becker S, Noack F
1125 - 1133	Transition pathways in a many-body system: Application to hydrogen-bond breaking in water Csajka FS, Chandler D
1134 - 1140	Long range corrections to mixture properties of inhomogeneous systems Guo MX, Lu BCY
1141 - 1146	Classical Monte Carlo study of phase transitions in rare-gas clusters adsorbed on model surfaces Matos NY, Lopez GE
1147 - 1151	Capillary condensation of Lennard-Jones fluid in a slitlike pore filled with quenched disordered matrix Perez L, Sokolowski S, Pizio O
1152 - 1161	Asymmetric water-oil-amphiphile mixtures: Lamellar phases and droplet microemulsions Guerra C, Somoza AM, da Gama MMT
1162 - 1169	Conformation and dynamics of polymer chains on dirty surfaces: A discrete-to-continuum approach Foo GM, Pandey RB
1170 - 1174	Hydration and transport properties of aqueous solutions of alpha-alpha-trehalose Magazu S, Maisano G, Migliardo P, Middendorf HD, Villari V
1175 - 1184	Molecular tailoring of thermoreversible copolymer gels: Some new mechanistic insights Badiger MV, Lele AK, Bhalerao VS, Varghese S, Mashelkar RA
1185 - 1195	Investigation of photoexcitations of conjugated polymer/fullerene composites embedded in conventional polymers Brabec CJ, Dyakonov V, Sariciftci NS, Graupner W, Leising G, Hummelen JC
1196 - 1197	Azimuthal ordering in Langmuir monolayers Braun FN, Yokoyama H
1198 - 1200	Comment on "On the importance of the fragment relaxation energy terms in the estimation of the basis set superposition error correction to the intermolecular interaction energy" [J Chem Phys 104, 8821 (1996)] Szalewicz K, Jeziorski B
1201 - 1202	Comment on "On the direct complex scaling of matrix elements expressed in a discrete variable representation: Application to molecular resonances" [J Chem Phys 104, 7008 (1996)] Bludsky O, Li Y, Hirsch G, Buenker RJ
1203 - 1204	Response to "Comment on 'On the direct complex scaling of matrix elements expressed in a discrete variable representation: Application to molecular resonances'" [J Chem Phys 109, 1201 (1998)] Leforestier C, Museth K
1205 - 1205	"First principles simulations of fluid water: The radial distribution functions" (vol 106, pg 3696, 1997) Ortega J, Lewis JP, Sankey OF