Journal of Chemical Physics

Journal of Chemical Physics, Vol.121, No.7 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (53 articles)

2849 - 2851	Optical excitation and absorption spectra of C50Cl10 Xie RH, Bryant GW, Cheung CF, Smith VH, Zhao JJ
2852 - 2865	Theory of aging in structural glasses Lubchenko V, Wolynes PG
2866 - 2876	Multiresolution quantum chemistry in multiwavelet bases: Analytic derivatives for Hartree-Fock and density functional theory Yanai T, Fann GI, Gan ZT, Harrison RJ, Beylkin G
2877 - 2885	The quasi-independent curvilinear coordinate approximation for geometry optimization Nemeth K, Challacombe M
2886 - 2890	Revisiting infinite lattice sums with the periodic fast multipole method Kudin KN, Scuseria GE
2891 - 2898	Effective potential analytic continuation calculations of real time quantum correlation functions: Asymmetric systems Horikoshi A, Kinugawa K
2899 - 2903	Nonexponential statistics of fluorescence photobleaching Berglund AJ
2904 - 2914	Overcoming free energy barriers using unconstrained molecular dynamics simulations Henin J, Chipot C
2915 - 2931	Linear-scaling formation of Kohn-Sham Hamiltonian: Application to the calculation of excitation energies and polarizabilities of large molecular systems Watson MA, Salek P, Macak P, Helgaker T
2932 - 2936	Thermodynamic length in a two-dimensional thermodynamic state space Santoro M
2937 - 2954	Contracted basis Lanczos methods for computing numerically exact rovibrational levels of methane Wang XG, Carrington T
2955 - 2961	Incoherent noise and quantum information processing Boulant N, Emerson J, Havel TF, Cory DG, Furuta S
2962 - 2974	Ab initio calculations on low-lying electronic states of TeO2 and Franck-Condon simulation of the (1)B-1(2)<-(X)over-tilde(1)A(1) TeO2 absorption spectrum including anharmonicity Lee EPF, Mok DKW, Chau FT, Dyke JM
2975 - 2984	Raman spectra of (He)(N)-Br-2(X) clusters: The role of boson/fermion statistics in a quantum solvent Lopez-Duran D, de Lara-Castells MP, Delgado-Barrio G, Villarreal P, Di Paola C, Gianturco FA, Jellinek J
2985 - 2991	Franck-Condon effects in collision-induced electronic energy transfer: I-2(E;v=1,2)+He,Ar Chandra PP, Stephenson TA
2992 - 3008	Direct potential fit analysis of the X-1 Sigma(+) ground state of CO Coxon JA, Hajigeorgiou PG
3009 - 3018	Infrared spectrum and stability of a pi-type hydrogen-bonded complex between the OH and C2H2 reactants Davey JB, Greenslade ME, Marshall MD, Lester MI, Wheeler MD
3019 - 3029	Spectroscopic implications of the coupling of unquenched angular momentum to rotation in OH-containing complexes Marshall MD, Lester MI
3030 - 3043	Electron and nuclear dynamics of molecular clusters in ultraintense laser fields. III. Coulomb explosion of deuterium clusters Last I, Jortner J
3044 - 3050	Kinetic temperature effects on He-4 dimers in jets Kariotis R, Bruch LW, Kornilov O
3051 - 3057	Electric field effects on the shielding constants of noble gases: A four-component relativistic Hartree-Fock study Pecul M, Saue T, Ruud K, Rizzo A
3058 - 3068	Predissociation and autoionization of triplet Rydberg states in molecular hydrogen Dinu L, Picard YJ, van der Zande WJ
3069 - 3073	Channel switching effect in photodissociating N2O+ ion at 312.5 nm Xu HF, Guo Y, Li QF, Shi Y, Liu SL, Ma XX
3074 - 3086	Collision-energy-resolved Penning ionization electron spectroscopy of bromomethanes (CH3Br, CH2Br2, and CHBr3) by collision with He*(2(3)S) metastable atoms Kishimoto N, Matsumura E, Ohno K, Deleuze MS
3087 - 3095	Infrared spectra of seeded hydrogen clusters: (paraH(2))(N)-OCS, (orthoH(2))(N)-OCS, and (HD)(N)-OCS, N=2-7 Tang J, McKellar ARW
3096 - 3101	Assessment of recently developed exchange-correlation functionals for the description of torsion potentials in pi-conjugated molecules Sancho-Garcia JC, Cornil J
3102 - 3107	Evaporatively cooled M+(H2O)Ar cluster ions: Infrared spectroscopy and internal energy simulations Vaden TD, Weinheimer CJ, Lisy JM
3108 - 3116	Insights into the structures, energetics, and vibrations of aqua-rubidium(I) complexes: Ab Initio study Park J, Kolaski M, Lee HM, Kim KS
3117 - 3129	Ab initio potential energy surfaces of the ion-molecule reaction: C2H2+O+ Fukuzawa K, Matsushita T, Morokuma K
3130 - 3142	Structures of HCN-Mg-n (n=2-6) complexes from rotationally resolved vibrational spectroscopy and ab initio theory Stiles PL, Moore DT, Miller RE
3143 - 3151	Solvation effects in near-critical binary mixtures Onuki A, Kitamura H
3152 - 3160	Resonant enhancement of two-photon absorption in substituted fluorene molecules Hales JM, Hagan DJ, Van Stryland EW, Schafer KJ, Morales AR, Belfield KD, Pacher P, Kwon O, Zojer E, Bredas JL
3161 - 3164	The glass-to-liquid transition of the emulsified high-density amorphous ice made by pressure-induced amorphization Mishima O
3165 - 3180	Characterization of heteronuclear decoupling through proton spin dynamics in solid-state nuclear magnetic resonance spectroscopy De Paepe G, Elena B, Emsley L
3181 - 3183	Phase behavior and critical properties of size-asymmetric, primitive-model electrolytes Qin YA, Prausnitz JM
3184 - 3190	The effect of the cation substitution on the structural and vibrational properties of Cs2NaGaxSc1-xF6 solid solution Doriguetto AC, Boschi TM, Pizani PS, Mascarenhas YP, Ellena J
3191 - 3196	A mean field analysis of the static dielectric behavior of linear lower alcohols Pieruccini M, Saija F
3197 - 3205	Modeling velocity autocorrelation functions for confined fluids using gamma distributions Krishnan SH, Ayappa KG
3206 - 3211	A cellular automaton for the modeling of oscillations in a surface reaction Lemos MC, Jimenez-Morales F
3212 - 3220	Quasielastic and inelastic neutron scattering on hydrated calcium silicate pastes Faraone A, Fratini E, Baglioni P, Chen SH
3221 - 3227	Modulated hydrogen beam study of adsorption-induced desorption of deuterium from Si(100)-3X1 : D surfaces Rahman F, Kuroda M, Kiyonaga T, Khanom F, Tsurumaki H, Inanaga S, Namiki A
3228 - 3237	Theoretical investigation of electromechanical effects for graphyne carbon nanotubes Coluci VR, Galvao DS, Baughman RH
3238 - 3252	Single molecule photon emission statistics for non-Markovian blinking models Zheng YJ, Brown FLH
3253 - 3258	Grand canonical Monte Carlo simulation of a model colloid-polymer mixture: Coexistence line, critical behavior, and interfacial tension Vink RLC, Horbach J
3259 - 3271	The role of molecular shape in bilayer elasticity and phase behavior Brannigan G, Tamboli AC, Brown FLH
3272 - 3281	A statistical-mechanical model of polymer liquid crystals subjected to external deformations Brostow W, Walasek J
3282 - 3294	Hydrogen motions in the alpha-relaxation regime of poly(vinyl ethylene): A molecular dynamics simulation and neutron scattering study Narros A, Alvarez F, Arbe A, Colmenero J, Richter D, Farago B
3295 - 3298	Contributions of short-range and excluded-volume interactions to unperturbed polymer chain dimensions Yamakawa H, Yoshizaki T
3299 - 3322	Anisotropic colloidal particles in critical fluids Eisenriegler E
3323 - 3328	Comparison in fractal dimension between those obtained from structure factor and viscoelasticity of gel networks of 1,3 : 2,4-bis-O-(p-methylbenzylidene)-D-sorbitol in polystyrene melt at gel point Takenaka M, Kobayashi T, Saijo K, Tanaka H, Iwase N, Hashimoto T, Takahashi M
3329 - 3346	Memory effects in collective dynamics of Brownian suspensions Szymczak P, Cichocki B
3347 - 3348	Comment on "Stiffness in stochastic chemically reacting systems: The implicit tau-leaping method" [J. Chem. Phys. 119, 12784 (2003)] De Cock K, Zhang XY, Bugallo MF, Djuric PM
3349 - 3349	Collective molecular rotation in D2O (vol 117, pg 9374, 2002) Shelton DP