Journal of Chemical Physics

Journal of Chemical Physics, Vol.114, No.7 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (63 articles)

2867 - 2870	Size reassignments of the S-1-S-0 vibronic spectra of benzene clusters Iimori T, Ohshima Y
2871 - 2874	A spectroscopic determination of the bond length of the LiOLi molecule: Strong ionic bonding Bellert D, Breckenridge WH
2875 - 2878	The second-order Moller-Plesset limit for the barrier to linearity of water Valeev EF, Allen WD, Schaefer HF, Csaszar AG
2879 - 2882	CASSCF and MRCl studies of the electronic excited states of CH2Cl and CH2Br Li YM, Francisco JS
2883 - 2886	Correlation between elastic and inelastic atom scattering from single adsorbed molecules Choi BH, Graham AP, Tang KT, Toennies JP
2887 - 2893	Spin-Hamiltonian and density functional theory descriptions of spin exchange interactions Dai DD, Whangbo MH
2894 - 2902	Electronically nonadiabatic trajectories: Continuous surface switching II Hack MD, Truhlar DG
2903 - 2909	Using the finite-difference time-domain pulse propagation method to simulate time-resolved THz experiments Beard MC, Schmuttenmaer CA
2910 - 2918	A computational method to discover the existence of promoting vibrations for chemical reactions in condensed phases Caratzoulas S, Schwartz SD
2919 - 2923	A redundant internal coordinate algorithm for optimization of periodic systems Kudin KN, Scuseria GE, Schlegel HB
2924 - 2937	Generalized solvent boundary potential for computer simulations Im W, Berneche S, Roux B
2938 - 2954	Electronic structure of the 4d transition metal carbides: Dispersed fluorescence spectroscopy of MoC, RuC, and PdC DaBell RS, Meyer RG, Morse MD
2955 - 2962	Decay pathways and dissociation energies of copper clusters, Cu-n(+) (2 <= n <= 25), Cu-n(2+) (15 <= n <= 25) Kruckeberg S, Schweikhard L, Ziegler J, Dietrich G, Lutzenkirchen K, Walther C
2963 - 2966	Coalescence reactions in (C-70)(m)Ir-x clusters Branz W, Malinowski N, Martin TP
2967 - 2976	A five-dimensional quantum scattering model for the type AB+XCD3 reversible arrow ABX+CD3 reaction in hyperspherical coordinates: Application to OH+CH4 reversible arrow H2O+CH3 Yu HG
2977 - 2980	Electronic structure of eka-lead (element 114) compared with lead Landau A, Eliav E, Ishikawa Y, Kaldor U
2981 - 2985	Ultraviolet-visible photodissociation spectra of Vn+Xe (n=5-8) cluster complex cations Antonietti JM, Chatelain A, Fedrigo S
2986 - 2992	Energy transfer, scattering and dissociation in ion atom collisions: CO2+/Ar Tosh RE, Shukla AK, Futrell JH
2993 - 2995	Equilibrium geometries of cyclic SiC3 isomers Stanton JF, Gauss J, Christiansen O
2996 - 3002	The effects of dispersive C-n/R-n-attraction on M+/Rg bonding (M+ = atomic metal ion, Rg = rare gas atom) Burns KL, Bellert D, Leung AWK, Breckenridge WH
3003 - 3009	Nonadiabatic effects in the lowest 0(+)(P-3) ion-pair states of CIF Kokh DB, Li Y, Buenker RJ, Alekseyev AB, Liebermann HP, Alekseev VA
3010 - 3017	Structure, properties, and photodissociation of O-4(-) Aquino AJA, Taylor PR, Walch SP
3018 - 3028	Multiphoton ionization photoelectron spectroscopy of acetaldehyde via the (A)over-tilde (1)A '', (B)over-tilde, (C)over-tilde, and (D)over-tilde states Kim HT, Anderson SL
3029 - 3034	Non-Gaussian dynamics of a dilute hard-sphere gas Yamaguchi T, Kimura Y
3035 - 3045	High-resolution laser spectroscopy of LiAr: Spectroscopic parameters and interaction potentials of the A (2)Pi and the B (2)Sigma states Bruhl R, Zimmermann D
3046 - 3050	Tuning the scattering length on the ground triplet state of Cs-2 Kokoouline V, Vala J, Kosloff R
3051 - 3054	First experimental observation on different ionic states of the CH3SS radical: A HeI photoelectron spectrum Ge MF, Wang J, Sun Z, Zhu XJ, Wang DX
3055 - 3064	Coupled-cluster characterization of the ground and excited states of the CH2N and CH2P radicals Brinkmann NR, Wesolowski SS, Schaefer HF
3065 - 3072	Excitation energy transfer in condensed media Hsu CP, Fleming GR, Head-Gordon M, Head-Gordon T
3073 - 3091	Population and coherence transfer in half-integer quadrupolar spin systems induced by simultaneous rapid passages of the satellite transitions: A static and spinning single crystal nuclear magnetic resonance study Schafer H, Iuga D, Verhagen R, Kentgens APM
3092 - 3104	Effects of pressure on the trapping site structures and absorption spectra of Li in solid H-2: A path integral Monte Carlo study Ma YM, Cui T, Zou GT
3105 - 3108	Role of the cavity field in nonlinear optical response in the condensed phase Munn RW, Luo Y, Macak P, Agren H
3109 - 3119	Noisy chemical equilibria and flow reactor's yield Fulinski A
3120 - 3126	Hydration of Li+ ion. An ab initio molecular dynamics simulation Lyubartsev AP, Laasonen K, Laaksonen A
3127 - 3132	Nonperturbative theory of multiphonon anharmonic transitions Hizhnyakov V, Kaasik H
3133 - 3148	Crossover criticality in ionic solutions Gutkowski K, Anisimov MA, Sengers JV
3149 - 3156	Two-color fluorescence correlation spectroscopy of one chromophore: Application to the E222Q mutant of the green fluorescent protein Jung G, Brauchle C, Zumbusch A
3157 - 3162	Mixture model description of the T-, P dependence of the refractive index of water Cho CH, Urquidi J, Gellene GI, Robinson GW
3163 - 3169	Localization of helium at an aromatic molecule in superfluid helium clusters Kwon Y, Whaley KB
3170 - 3173	Nucleation of a noncritical phase in a fluid near a critical point Sear RP
3174 - 3181	Isotope effect on the translational and rotational motion in liquid water and ammonia Hardy EH, Zygar A, Zeidler MD, Holz M, Sacher FD
3182 - 3186	Vibrational dynamics of the C-O stretch vibration in alcohols van den Broek MAFH, Nienhuys HK, Bakker HJ
3187 - 3199	Structure of liquid ethylene glycol: A molecular dynamics simulation study with different force fields Saiz L, Padro JA, Guardia E
3200 - 3207	Yb3+ distribution in LiNbO3 :(MgO) studied by cooperative luminescence Montoya E, Bausa LE, Schaudel B, Goldner P
3208 - 3214	Simulating the dynamic strength of molecular interactions Galligan E, Roberts CJ, Davies MC, Tendler SJB, Williams PM
3215 - 3223	Adsorption of atomic oxygen on GaAs(001)-(2x4) and the resulting surface structures Yi SI, Kruse P, Hale M, Kummel AC
3224 - 3235	Normal and defective perylene substitution sites in alkane crystals Leontidis E, Heinz H, Palewska K, Wallenborn EU, Suter UW
3236 - 3242	Vibrational density of states of selenium through the glass transition Caprion D, Schober HR
3243 - 3247	Conductivity spectra of sodium fluorozirconate glasses Ghosh A, Sural M
3248 - 3257	Ab initio molecular dynamics simulation of the Cu(110)-water interface Izvekov S, Mazzolo A, VanOpdorp K, Voth GA
3258 - 3264	Morphology of porous media studied by nuclear magnetic resonance line shapes and spin-echo decays Allen SG, Mallett MJD, Strange JH
3265 - 3270	Thermal effects on charge transfer in atom-surface scattering Goodman FO, Sulston KW
3271 - 3283	Discrete aqueous solvent effects and possible attractive forces Burak Y, Andelman D
3284 - 3292	Stability of the high-spin ground state in the Peierls-extended Hubbard model Huang ZB, Lin HQ
3293 - 3298	Electron and ion stimulated desorption of positive ions from SF6 adsorbed on a Ta surface Souda R
3299 - 3313	Influence of counterion valency on the scattering properties of highly charged polyelectrolyte solutions Zhang YB, Douglas JF, Ermi BD, Amis EJ
3314 - 3324	The nematic-isotropic phase transition in semiflexible fused hard-sphere chain fluids Jaffer KM, Opps SB, Sullivan DE, Nickel BG, Mederos L
3325 - 3329	Entropy driven unidirectional motion of Brownian particle inside a three-dimensional tube Sheu SY, Yang DY
3330 - 3338	Zero-field mobility, exact mean dwell times, and disorder-induced steps in a Gaussian energy distribution Soos ZG, Sin JM
3339 - 3340	Comment on "The viscoelastic response of Brownian suspensions" Felderhof BU
3341 - 3342	Response to "Comment on 'The viscoelastic response of Brownian suspensions'" Lowe CP, Masters AJ
3343 - 3343	Structures, energies, vibrational spectra, and electronic properties of water monomer to decamer (vol 112, pg 9759, 2000) Lee HM, Suh SB, Lee JY, Tarakeshwar P, Kim KS
3344 - 3344	Intramolecular vibrational redistribution in aromatic molecules. I. Eigenstate resolved CH stretch first overtone spectra of benzene (vol 113, pg 10583, 2000) Callegari A, Merker U, Engels P, Srivastava HK, Lehmann KK, Scoles G