Journal of Chemical Physics

Journal of Chemical Physics, Vol.109, No.1 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (46 articles)

1 - 10	Equivalence of the Kobrak-Rice photoselective adiabatic passage and the Brumer-Shapiro strong field methods for control of product formation in a reaction Kobrak MN, Rice SA
11 - 19	Inverse virial symmetry of diatomic potential curves Herrick DR, O'Connor S
20 - 25	On the adiabatic to diabatic states transformation in the presence of a conical intersection: A most diabatic basis from the solution to a Poisson's equation. I Sadygov RG, Yarkony DR
26 - 35	Density functional study of the NO dimer using GGA and LAP functionals Duarte HA, Proynov E, Salahub DR
36 - 41	An effective method for the quantum mechanical description of photoionization with ultrashort intense laser pulses Meier C, Engel V, Manthe U
42 - 55	Assessment of Gaussian-2 and density functional theories for the computation of ionization potentials and electron affinities Curtiss LA, Redfern PC, Raghavachari K, Pople JA
56 - 62	Theoretical study on the mechanism CH4+C2H2+ reaction: Mode-enhancement effect Cui QA, Liu ZW, Morokuma K
63 - 71	Dynamics of Rydberg states of nitric oxide probed by two-color resonant four-wave mixing spectroscopy McCormack EF, Di Teodoro F, Grochocinski JM, Pratt ST
72 - 78	Flexing analysis of steric exchange repulsion accompanying ethane internal rotation Goodman L, Gu HB
79 - 86	Quantum rate constants for the H-2+OH reaction with the centrifugal sudden approximation Zhang DH, Light JC, Lee SY
87 - 93	Structure, bonding, and energetics of C-7(2-) isomers Dolgounitcheva O, Zakrzewski VG, Ortiz JV
94 - 101	Quantum mechanical calculation of resonance tunneling in acetylene isomerization via the vinylidene intermediate Germann TC, Miller WH
102 - 107	Observation of the 5(1)Pi(u), 6(1)Sigma(+)(u), and 7(1)Sigma(+)(u) states of Na-2 through a Franck-Condon window by all-optical triple resonance spectroscopy Li J, Zhang JM, Wang H, Kim JT, Stwalley WC
108 - 120	Photofragmentation spectra and structures of Sr+Arn, n=2-8 clusters: Experiment and theory Fanourgakis GS, Farantos SC, Luder C, Velegrakis M, Xantheas SS
121 - 133	Pure bending dynamics in the acetylene (X)over-tilde(1)Sigma(+)(g) state up to 15,000 cm(-1) of internal energy Jacobson MP, O'Brien JP, Silbey RJ, Field RW
134 - 138	High level ab initio molecular orbital study of the structures and vibrational spectra of CHBr+ and CBr+ Li Z, Francisco JS
139 - 150	High level ab initio and density functional theory studies on methanol-water dimers and cyclic methanol(water)(2) trimer Gonzalez L, Mo O, Yanez M
151 - 156	Freezing of NO gateway emission by a magnetic field and very long field-free lifetimes of perturbed NO(a(4)Pi) levels Mo Y, Ottinger C, Shen G
157 - 161	A CCSD(T) study of the He center dot NO molecular complex Lee EPF, Wright TG
162 - 169	Competition between radiation and photofragmentation in the (A)over-tilde(2)Sigma(+) state of the SH/D rare gas complexes Applegate BE, Yang MC, Miller TA
170 - 176	Theoretical investigations of the lifetime of SH and SD ((A)over-tilde (2)Sigma(+)) in M center dot center dot center dot SH/D (M=Ne,Ar,Kr) complexes McCoy AB
177 - 185	Infrared spectra of cis and trans-(NO)(2)(-) anions in solid argon Andrews L, Zhou MF, Willson SP, Kushto GP, Snis A, Panas I
186 - 195	The fast cooling/heating rate effects in devitrification of glasses. II. Crystallization kinetics Shneidman VA, Uhlmann DR
196 - 207	Direct simulation of hydrodynamic relaxation in microchannels Palmer BJ
208 - 213	Single crystal Raman spectra of 1,2,4,5-tetrabromobenzene: Calculational and experimental assignment of the internal modes White KM, Eckhardt CJ
214 - 222	A global phase diagram for the ion-dipole model in the mean spherical approximation Thiery R, Lvov SN, Dubessy J
223 - 227	Crystal nucleation in the presence of a metastable critical point Talanquer V, Oxtoby DW
228 - 234	Molecular dynamics study of the velocity cross-correlations in liquids Verdaguer A, Padro JA, Trullas J
235 - 240	Weakened hydrogen bond interactions in the high pressure phase of ice: Ice II Dong SL, Wang Y, Kolesnikov AI, Li JC
241 - 248	Reorientations in supercooled glycerol studied by two-dimensional time-domain deuteron nuclear magnetic resonance spectroscopy Bohmer R, Hinze G
249 - 259	Analytical derivatives for geometry optimization in solvation continuum models. I. Theory Cances E, Mennucci B
260 - 266	Analytical derivatives for geometry optimization in solvation continuum models. II. Numerical applications Cances E, Mennucci B, Tomasi J
267 - 274	Measurement of mass diffusion coefficients using nonexponential forced Rayleigh scattering signals Spiegel DR, Marshall AH, Jukam NT, Park HS, Chang T
275 - 280	Non-Fickian diffusion in colloidal glasses Hagen MHJ, Frenkel D, Lowe CP
281 - 293	Perturbation theory for the breakdown of mean-field kinetics in oscillatory reaction-diffusion systems Velikanov MV, Kapral R
294 - 300	Interaction of gaseous D atoms with CH3I adsorbed on Pt(111), H/Pt(111), and C/Pt(111) surfaces: From hot-atom to Eley-Rideal phenomenology Wehner S, Kuppers J
301 - 311	Solvation forces in thin films confined between macroscopically curved substrates Schoen M, Gruhn T, Diestler DJ
312 - 317	Dispersions of rodlike particles in shear flow by Brownian dynamics simulations Branka AC, Heyes DM
318 - 328	Calculation of solid-fluid phase equilibria for systems of chain molecules Polson JM, Frenkel D
329 - 337	From molecular clusters to bulk matter. I. Structure and thermodynamics of small CO2, N-2, and SF6 clusters Maillet JB, Boutin A, Buttefey S, Calvo F, Fuchs AH
338 - 345	Surface induced segregation of hard-sphere chain mixtures Vakarin EV
346 - 347	The C-Cl bond fissions from the photolysis of CHCl = CCl2 at 193 nm Lee YJ, Lee YR, Chou CC, Lin SM
348 - 348	Comment on "Theory of rotational energy levels of open-shell complexes containing the O-2 molecule" [J. Chem. Phys. 107, 7651 (1997)] Fawzy WM
349 - 350	Comment on "Generalization of the multiconfigurational time-dependent Hartree method to nonadiabatic systems" [J. Chem, Phys, 105, 9191 (1996)] Meyer HD, Worth GA, Fang JY
351 - 351	Response to "Comment on 'Generalization of the multiconfigurational time-dependent Hartree method to nonadiabatic systems'" [J. Chem. Phys. 109, 349 (1998)] Museth K, Billing GD
352 - 352	Computer simulations of vapor-liquid phase equilibria of n-alkanes (vol 102, pg 2126, 1995) Smit B, Karaborni S, Siepmann JI