Journal of Chemical Physics

Journal of Chemical Physics, Vol.120, No.15 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (54 articles)

6807 - 6810	The surprising nonlinear optical properties of conjugated polyyne oligomers Slepkov AD, Hegmann FA, Eisler S, Elliott E, Tykwinski RR
6811 - 6814	The Huggins band of ozone: Unambiguous electronic and vibrational assignment Qu ZW, Zhu H, Tashiro M, Schinke R, Farantos SC
6815 - 6825	Bohmian dynamics on subspaces using linearized quantum force Rassolov VA, Garashchuk S
6826 - 6831	Variational second-order Moller-Plesset theory based on the Luttinger-Ward functional Dahlen NE, von Barth U
6832 - 6840	The importance of three-body terms in the fragment molecular orbital method Fedorov DG, Kitaura K
6841 - 6848	Analytic second derivatives for general coupled-cluster and configuration-interaction models Kallay M, Gauss J
6849 - 6862	Unified treatment of chemical and van der Waals forces via symmetry-adapted perturbation expansion Patkowski K, Jeziorski B, Szalewicz K
6863 - 6873	Simulation of environmental effects on coherent quantum dynamics in many-body systems Riga JM, Martens CC
6874 - 6889	Revealing the roles of Hamiltonian coupling in bound-state quantum systems Cheong BS, Rabitz H
6890 - 6897	Computing minimal entropy production trajectories: An approach to model reduction in chemical kinetics Lebiedz D
6898 - 6911	Meta-generalized gradient approximation: Explanation of a realistic nonempirical density functional Perdew JP, Tao JM, Staroverov VN, Scuseria GE
6912 - 6921	A complete nearest-neighbor force field model for C-60 Hands ID, Dunn JL, Bates CA
6922 - 6929	Spectroscopy of the OC-HF hydrogen-bonded complex at v(HF)=3 Yu ZH, Chuang CC, Medley P, Stone TA, Klemperer W
6930 - 6934	High-level ab initio studies of the electronic excited states of the hydroxyl radical and water-hydroxyl complex Schofield DP, Kjaergaard HG
6935 - 6943	Fourier transform microwave spectroscopy of the Rg-SH((2)Pi(i)) complexes (Rg : Ne, Kr): Determination of the intermolecular potential energy surfaces Suma K, Sumiyoshi Y, Endo Y
6944 - 6956	Vacuum ultraviolet pulsed-field ionization-photoelectron study of H2S in the energy range of 10-17 eV Hochlaf M, Weitzel KM, Ng CY
6957 - 6963	Photolysis of oxalyl chloride (ClCO)(2) at 193 nm: Emission of CO(v <= 6, J <= 60) detected with time-resolved Fourier-transform spectroscopy Wu CY, Lee YP, Wang NS
6964 - 6972	Dissociation dynamics of thiolactic acid at 193 nm: Detection of the nascent OH product by laser-induced fluorescence Pushpa KK, Upadhyaya HP, Kumar A, Naik PD, Bajaj P, Mittal JP
6973 - 6979	Vibrational relaxation of CH3I in the gas phase and in solution Elles CG, Cox MJ, Crim FF
6980 - 6984	Threshold-photoelectron-spectroscopy-coincidence study of the double photoionization of HBr Alagia M, Brunetti BG, Candori P, Falcinelli S, Teixidor MM, Pirani F, Richter R, Stranges S, Vecchiocattivi F
6985 - 6991	Low-lying electronic states of HBr2+ Alagia M, Brunetti BG, Candori P, Falcinelli S, Teixidor MM, Pirani F, Richter R, Stranges S, Vecchiocattivi F
6992 - 6998	Intramolecular vibrational energy redistribution in the highly excited fluoroform molecule: A quantum mechanical study using the multiconfiguration time-dependent Hartree algorithm Iung C, Gatti F, Meyer HD
6999 - 7007	Reactions of O+ with CnH2n+2, n=2-4: A guided-ion beam study Levandier DJ, Chiu YH, Dressler RA
7008 - 7017	Photodissociation of benzene under collision-free conditions: An ab initio/Rice-Ramsperger-Kassel-Marcus study Kislov VV, Nguyen TL, Mebel AM, Lin SH, Smith SC
7018 - 7023	A reduced dimensionality quasiclassical and quantum study of the proton transfer reaction H3O++H2O -> H2O+H3O+ Rheinecker J, Xie T, Bowman JM
7024 - 7028	Electron attachment and detachment and the electron affinity of cyclo-C4F8 Miller TM, Friedman JF, Viggiano AA
7029 - 7040	Excitation energy transfer (EET) between molecules in condensed matter: A novel application of the polarizable continuum model (PCM) Iozzi MF, Mennucci B, Tomasi J, Cammi R
7041 - 7049	Influence of strain on transport in dense Lennard-Jones systems Petravic J
7050 - 7054	Reorganization energy associated with small polaron mobility in iron oxide Rosso KM, Dupuis M
7055 - 7058	van der Waals-Tonks-type equations of state for hard-hypersphere fluids in four and five dimensions Wang XZ
7059 - 7066	Ab initio based force field and molecular dynamics simulations of crystalline TATB Gee RH, Roszak S, Balasubramanian K, Fried LE
7067 - 7070	Periodic change of viscosity and density in an oscillating chemical reaction Yoshimoto M, Shirahama H, Kurosawa S, Naito M
7071 - 7074	Experimental verification of the Smoluchowski theory for a bimolecular diffusion-controlled reaction in liquid phase Arita T, Kajimoto O, Terazima M, Kimura Y
7075 - 7084	Is styrene planar in liquid phases? Celebre G, De Luca G, Longeri M, Pileio G, Emsley JW
7085 - 7094	On the influence of semirigid environments on proton transfer along molecular chains Zoete V, Meuwly M
7095 - 7106	Energy of charged states in the acetanilide crystal: Trapping of charge-transfer states at vacancies as a possible mechanism for optical damage Tsiaousis D, Munn RW
7107 - 7112	Sum frequency vibrational spectroscopy of leucine molecules adsorbed at air-water interface Ji N, Shen YR
7113 - 7122	Kinetics of the CO oxidation reaction on Pt(111) studied by in situ high-resolution x-ray photoelectron spectroscopy Kinne M, Fuhrmann T, Zhu JF, Whelan CM, Denecke R, Steinruck HP
7123 - 7130	Electrofreezing of confined water Zangi R, Mark AE
7131 - 7135	Nanometer-size cluster formation in alkali-metal-doped fullerene layers Touzik A, Hermann H, Wetzig K
7136 - 7140	Reflectivity and anisotropic optical functions of quaterthiophene single crystals Tavazzi S, Borghesi A, Campione M, Laicini M, Trabattoni S, Spearman P
7141 - 7146	Gold particle interaction in regular arrays probed by surface enhanced Raman scattering Felidj N, Truong SL, Aubard J, Levi G, Krenn JR, Hohenau A, Leitner A, Aussenegg FR
7147 - 7152	Ozone adsorption on carbon nanotubes: The role of Stone-Wales defects Picozzi S, Santucci S, Lozzi L, Valentini L, Delley B
7153 - 7157	Infrared spectroscopy of the solid phases of ammonia Holt JS, Sadoskas D, Pursell CJ
7158 - 7164	Broadband femtosecond sum-frequency spectroscopy of CO on Ru{10(1)over-bar0} in the frequency and time domains Symonds JPR, Arnolds H, Zhang VL, Fukutani K, King DA
7165 - 7168	Lagrange multiplier based transport theory for quantum wires Kosov DS
7169 - 7173	Interaction of atomic hydrogen with single-walled carbon nanotubes: A density functional theory study Barone V, Heyd J, Scuseria GE
7174 - 7182	Analytic density-functional self-consistent-field theory of diblock copolymers near patterned surfaces Seok C, Freed KF, Szleifer I
7183 - 7193	Membrane inclusions as coupled harmonic oscillators: Effects due to anisotropic membrane slope relaxation Partenskii MB, Miloshevsky GV, Jordan PC
7194 - 7205	Localization and freezing of a Gaussian chain in a quenched random potential Rostiashvili VG, Vilgis TA
7206 - 7211	Properties of branched confined polymers Sikorski A, Romiszowski P
7212 - 7222	Microscopic theory of gelation and elasticity in polymer-particle suspensions Chen YL, Schweizer KS
7223 - 7233	Density-functional theory of spherical electric double layers and zeta potentials of colloidal particles in restricted-primitive-model electrolyte solutions Yu YX, Wu JZ, Gao GH
7234 - 7234	Multiconfigurational system-bath dynamics using Gaussian wave packets: Energy relaxation and decoherence induced by a finite-dimensional bath (vol 119, pg 5364, 2003) Burghardt I, Nest M, Worth GA