Journal of Chemical Physics

Journal of Chemical Physics, Vol.108, No.1 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (39 articles)

1 - 3	NiH2 has a singlet ground state Barron JR, Kelley AR, Liu RF
4 - 7	Anisotropy-induced polarization effects in degenerate four-wave mixing spectroscopy: A new scheme for probing molecular orientation and alignment Muller T, Wasserman TAW, Vaccaro PH, Johnson BR
8 - 11	The dipole bound-to-covalent anion transformation in uracil Hendricks JH, Lyapustina SA, de Clercq HL, Bowen KH
12 - 19	Resonant two-photon ionization and fluorescence excitation studies of o, m-difluorobenzene center dot center dot center dot Ar. Spectral shifts and intermolecular vibrations Lu WY, Hu YH, Yang SH
20 - 32	Structure and vibrational spectra of methanol clusters from a new potential model Buck U, Siebers JG, Wheatley RJ
33 - 38	Vibrational predissociation spectra of size selected methanol clusters: New experimental results Buck U, Ettischer I
39 - 45	Angular geometries of complexes containing the O center dot center dot center dot Cl-F linkage: Rotational spectrum of formaldehyde center dot center dot center dot chlorine monofluoride Cooke SA, Corlett GK, Evans CM, Legon AC, Holloway JH
46 - 49	Spectroscopic constants of the X (2)Sigma(+) and A (2)Pi states of Sr+Ar from first principles: Comparison with experiment Xantheas SS, Fanourgakis GS, Farantos SC, Velegrakis M
50 - 62	The use of cross-correlation functions in the analysis of circular dichroism spectra Abbate S, Longhi G, Kwon K, Moscowitz A
63 - 71	Local frequency analysis and the structure of classical phase space of the LiNC/LiCN molecular system Losada JC, Estebaranz JM, Benito RM, Borondo F
72 - 80	OH stretch overtone spectroscopy and transition dipole alignment of HOD Fair JR, Votava O, Nesbitt DJ
81 - 92	Correlation between the intensities of vibrational overtone transitions and the repulsive branch of the molecular potential Medvedev ES
93 - 108	Polarizability tensor theory by Green's function matrix: Circular dichroism and ultraviolet absorption band shape calculations of cyclo(Gly-Pro-Gly-D-Ala-Pro) having beta- and gamma-turns Ito H
109 - 116	Absolute partial cross sections for electron-impact ionization of H2O and D2O from threshold to 1000 eV Straub HC, Lindsay BG, Smith KA, Stebbings RF
117 - 133	Kinetic theory of bimolecular reactions in liquid. 1. Steady-state fluorescence quenching kinetics Yang M, Lee S, Shin KJ
134 - 141	Photodissociation of CH CCH2X (X=Br and Cl) by translational spectroscopy Lee YR, Lin SM
142 - 153	Vibrational phase and energy relaxation of CN- in water Rey R, Hynes JT
154 - 176	An examination of intrinsic errors in electronic structure methods using the Environmental Molecular Sciences Laboratory computational results database and the Gaussian-2 set Feller D, Peterson KA
177 - 192	Volume polarization in reaction field theory Zhan CG, Bentley J, Chipman DM
193 - 202	Gas phase proton transfer reaction of nitric acid ammonia and the role of water Tao FM
203 - 207	Potential energy surface of cyclooctatetraene Andres JL, Castano O, Morreale A, Palmeiro R, Gomperts R
208 - 217	Variational perturbation calculations for the phase diagram of systems with short-ranged interactions Hasegawa M
218 - 226	Low-field hopping among randomly-distributed sites with uncorrelated energetic disorder Parris PE
227 - 233	Solvation free energies of methane and alkali halide ion pairs: An expanded ensemble molecular dynamics simulation study Lyubartsev AP, Forrisdahl OK, Laaksonen A
234 - 239	Dynamics and instabilities near the glass transition: From clusters to crystals Nayak SK, Jena P, Ball KD, Berry RS
240 - 251	Off-resonant fifth-order nonlinear response of water and CS2: Analysis based on normal modes Saito S, Ohmine I
252 - 260	Three-flavor instantaneous normal mode formalism: Diffusion, harmonicity, and the potential energy landscape of liquid CS2 Li WX, Keyes T, Sciortino F
261 - 270	Coherent and diffusive features of polaron transport in exciton-phonon systems: A Mori approach Dolderer H, Wagner M
271 - 286	Macromolecular conformational dynamics in torsional angle space He SQ, Scheraga HA
287 - 300	Brownian dynamics simulations of protein folding He SQ, Scheraga HA
301 - 307	Correlated vibrational frequencies of polymers: MBPT(2) for all-trans polymethineimine Sun JQ, Bartlett RJ
308 - 316	Structure of Na(3 P-2)-Ar-n clusters using semiempirical potentials Tutein AB, Mayne HR
317 - 325	Calculations of the direct electromagnetic enhancement in surface enhanced Raman scattering on random self-affine fractal metal surfaces Sanchez-Gil JA, Garcia-Ramos JV
326 - 333	Shear-induced ordering kinetics of a triblock copolymer melt Hajduk DA, Tepe T, Takenouchi H, Tirrell M, Bates FS, Almdal K, Mortensen K
334 - 350	On the transition coordinate for protein folding Du R, Pande VS, Grosberg AY, Tanaka T, Shakhnovich ES
351 - 358	Measurement and ab initio modeling of the inelastic neutron scattering of solid N-methylformamide Bour P, Tam CN, Sopkova J, Trouw FR
359 - 367	Theoretical study of the atomic-force-microscopy imaging process on the NaCl(001) surface Tang H, Bouju X, Joachim C, Girard C, Devillers J
368 - 375	Tagged chain diffusion equation and effective friction tensor in dense polymer solutions Szamel G
376 - 382	Chain correlations in linear and ring polymer blends Garas GE, Kosmas MK