Journal of Chemical Physics

Journal of Chemical Physics, Vol.109, No.8 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (41 articles)

2967 - 2970	Giant second-order Zeeman effect in titanium (III) doped caesium gallium alum Tregenna-Piggott PLW, O'Brien MCM, Weihe H, Gudel HU
2971 - 2974	Transition state spectroscopy on the Li-HF system Paniagua M, Aguado A, Lara M, Roncero O
2975 - 2978	Crossed molecular beam studies of the O(D-1)+CH4 reaction : Evidences for the CH2OH+H channel Lin JJ, Lee YT, Yang X
2979 - 2982	Site and isotope effects on the molecular hydrogen elimination from ethylene at 157 nm excitation Lin JJ, Hwang DW, Lee YT, Yang XM
2983 - 2986	Smooth transformations of Kratzer's potential in N dimensions Hall RL, Saad N
2987 - 2993	Resolution of alkane molecular polarizabilities into atomic terms Ferraro MB, Caputo MC, Lazzeretti P
2994 - 2998	Dynamics of reduced density matrices : Classical memory versus quantum nonlocality Makri N
2999 - 3003	Semiclassical initial value approach for chaotic long-lived dynamics Campolieti G, Brumer P
3004 - 3016	On the use of the quasi-Gaussian entropy theory in noncanonical ensembles. I. Prediction of temperature dependence of thermodynamic properties Amadei A, Apol MEF, Berendsen HJC
3017 - 3027	On the use of the quasi-Gaussian entropy theory in noncanonical ensembles. II. Prediction of density dependence of thermodynamic properties Apol MEF, Amadei A, Berendsen HJC
3028 - 3036	Correlation function formulation for the state selected total reaction probability Garashchuk S, Tannor DJ
3037 - 3047	Temperature, pressure, and perturber dependencies of line-mixing effects in CO2 infrared spectra. II. Rotational angular momentum relaxation and spectral shift in Sigma <-Sigma bands Rodrigues R, Boulet C, Bonamy L, Hartmann JM
3048 - 3061	The intermolecular potential between an inert gas and a halogen : Prediction and observation of transitions between the linear and T-shaped isomers of HeClF Higgins K, Tao FM, Klemperer W
3062 - 3068	Rotationally resolved photoelectron spectroscopy of autoionizing states of water Glab WL, Child MS, Pratt ST
3069 - 3071	Thermodynamic investigation of small germanium-tin clusters with a mass spectrometer Schmude RW, Gingerich KA
3072 - 3076	Interaction potentials for He-F- and Ne-F- Archibong EF, Hu CH, Thakkar AJ
3077 - 3085	Cooperative effects in the structuring of fluoride water clusters : Ab initio hybrid quantum mechanical/molecular mechanical model incorporating polarizable fluctuating charge solvent Bryce RA, Vincent MA, Malcolm NOJ, Hillier IH, Burton NA
3086 - 3095	Ab initio study of the electronic spectrum of C2H2+ : Investigation of structure of spectra involving low-lying doublet electronic states Peric M, Ostojic B, Engels B
3096 - 3107	Ab initio relativistic pseudopotential study of small silver and gold sulfide clusters (M2S)(n), n = 1 and 2 Bagatur'yants AA, Safonov AA, Stoll H, Werner HJ
3108 - 3115	The isocyanopolyynes HC4NC and HC6NC : Microwave spectra and ab initio calculations Botschwina P, Heyl A, Chen W, McCarthy MC, Grabow JU, Travers MJ, Thaddeus P
3116 - 3130	Numerical and theoretical analysis of multiquantum magic-angle spinning experiments Charpentier T, Fermon C, Virlet J
3131 - 3136	A pair potentials study of matrix-isolated atomic zinc. I. Excited P-1(1) state dynamics in solid Ar Kerins PN, McCaffrey JG
3137 - 3144	A pair potentials study of matrix-isolated atomic zinc. II. Intersystem crossing in rare-gas clusters and matrices Breckenridge WH, Morse MD, McCaffrey JG
3145 - 3152	The optical absorption spectrum of the octahedral RhCl63- complex : Ab initio calculations of excitation energies and the effect of spin-orbit coupling Ribbing C, Gilliams B, Pierloot K, Roos BO, Karlstrom G
3153 - 3160	Structural and thermodynamic properties of fluid carbon dioxide from a new ab initio potential energy surface Steinebrunner G, Dyson AJ, Kirchner B, Huber H
3161 - 3175	The total neutron scattering cross section of solid methane in phase II Grieger S, Friedrich H, Guckelsberger K, Scherm R, Press W
3176 - 3179	Cl-35 nuclear quadrupole resonance study of lattice dynamics in SnCl4 center dot 5H(2)O comprising uncoordinated water molecules Oh DK, Kwon YM, Rhee C, Lee CE, Kang JK
3180 - 3184	Neutron diffraction study of high density supercritical water Botti A, Bruni F, Ricci MA, Soper AK
3185 - 3196	The Hartree-Fock calculation of the magnetic properties of molecular solutes Cammi R
3197 - 3203	Surface diffusion near the points corresponding to continuous phase transitions Uebing C, Zhdanov VP
3204 - 3221	Mechanisms of solvation dynamics of polyatomic solutes in polar and nondipolar solvents : A simulation study Ladanyi BM, Maroncelli M
3222 - 3231	Theory of ion solvation dynamics in mixed dipolar solvents Yoshimori A, Day TJF, Patey GN
3232 - 3239	N-2 on tungsten clusters : Molecular and dissociative adsorption Holmgren L, Andersson M, Rosen A
3240 - 3244	Microscopic analysis of the coarsening of an interface in the spinodal decomposition of a binary fluid Kumaran V
3245 - 3254	A molecular dynamics study of the structure of water layers adsorbed on MgO(100) Marmier A, Hoang PNM, Picaud S, Girardet C, Lynden-Bell RM
3255 - 3264	Deuterium dissociation on ordered Sn/Pt(111) surface alloys Samson P, Nesbitt A, Koel BE, Hodgson A
3265 - 3268	Optical properties of protein monolayers during assembly Guemouri L, Ogier J, Ramsden JJ
3269 - 3275	Density functional theory of polymers : A Curtin-Ashcroft type weighted density approximation Yethiraj A
3276 - 3284	Constant temperature molecular dynamics of a protein in water by high-order decomposition of the Liouville operator Ishida H, Kidera A
3285 - 3292	Rigid particles in an elastic polymer network : An electrical-analog approach Allegra G, Raos G
3293 - 3295	Comment on "Frequency-dependent equation-of-motion coupled cluster hyperpolarizabilities : Resolution of the discrepancy between theory and experiment for HF?" [J Chem Phys 107,10823(1997)] Hattig C, Koch H, Jorgensen P