Journal of Chemical Physics

Journal of Chemical Physics, Vol.115, No.13 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (63 articles)

5703 - 5706	O-2 center dot N-2 photochemistry in the present and Precambrian atmosphere Zipf EC, Prasad SS
5707 - 5710	Mass spectra and photoelectron spectroscopy of negatively charged benzene clusters, (benzene)(n)(-) (n=53-124) Mitsui M, Nakajima A, Kaya K, Even U
5711 - 5713	Large enhancement in dissociative electron attachment to HCl adsorbed on H2O ice via transfer of presolvated electrons Lu QB, Sanche L
5714 - 5717	Fabrication and photoluminescence of ordered GaN nanowire arrays Zhang J, Zhang LD, Wang XF, Liang CH, Peng XS, Wang YW
5718 - 5732	Efficient localized Hartree-Fock methods as effective exact-exchange Kohn-Sham methods for molecules Della Sala F, Gorling A
5733 - 5743	A theoretical model for molecules interacting with intense laser pulses: The Floquet-based quantum-classical Liouville equation Horenko I, Schmidt B, Schutte C
5744 - 5750	Fluctuations and asymmetry via local Lyapunov instability in the time-reversible doubly thermostated harmonic oscillator Hoover WG, Posch HA, Hoover CG
5751 - 5758	Calculation of product state distributions from resonance decay via Lanczos subspace filter diagonalization: Application to HO2 Zhang H, Smith SC
5759 - 5773	Energy versus amplitude corrected coupled-cluster approaches. I Li XZ, Paldus J
5774 - 5783	Energy versus amplitude corrected coupled-cluster approaches. II. Breaking the triple bond Li XZ, Paldus J
5784 - 5790	Response properties and stability conditions in density matrix functional theory Cioslowski J, Pernal K
5791 - 5795	Reconstruction of frozen-core all-electron orbitals from pseudo-orbitals Hetenyi B, De Angelis F, Giannozzi P, Car R
5796 - 5804	Can ordinary single-reference coupled-cluster methods describe potential energy surfaces with nearly spectroscopic accuracy? The renormalized coupled-cluster study of the vibrational spectrum of HF Piecuch P, Kucharski SA, Spirko V, Kowalski K
5805 - 5815	Statistical mechanics of quantum-classical systems Nielsen S, Kapral R, Ciccotti G
5816 - 5822	Simulation of (A)over-tilde(1)B(1)->(X)over-tilde(1)A(1) CF2 single vibronic level emissions: Including anharmonic and Duschinsky effects Chau FT, Dyke JM, Lee EPF, Mok DKW
5823 - 5829	Photodissociation spectroscopy of Zn+(C2H4) Lu WY, Kleiber PD, Young MA, Yang KH
5830 - 5835	Coalescence of C-20 fullerenes Ehlich R, Landenberger P, Prinzbach H
5836 - 5842	lambda and gamma reversal: The dissociation-limit region of the B-3 Sigma(-)(u) state of O-2 Waring K, Lewis BR, Baldwin KGH, Gibson ST
5843 - 5858	Vibrational and collision energy effects on the reaction of CH3CHO+ with methanol Kim HT, Liu JB, Anderson SL
5859 - 5882	Valence one-electron and shake-up ionization bands of polycyclic aromatic hydrocarbons. I. Benzene, naphthalene, anthracene, naphthacene, and pentacene Deleuze MS, Trofimov AB, Cederbaum LS
5883 - 5890	The complex of HF2- and H2O: A theoretical study Li GP, Reinhart B, Hamilton IP
5891 - 5902	Reaction mechanism and isotope effects derived from centroid transition state theory in intramolecular proton transfer reactions Iftimie R, Schofield J
5903 - 5912	Successive mechanism of double-proton transfer in formic acid dimer: A classical study Ushiyama H, Takatsuka K
5913 - 5924	Comparison of ab initio and density functional calculations of electric field gradients: The Fe-57 nuclear quadrupole moment from Mossbauer data Schwerdtfeger P, Sohnel T, Pernpointner M, Laerdahl JK, Wagner FE
5925 - 5931	Two-photon vibronic spectra of vinyl chloride at 7.3-10 eV Chang JL, Li RH, Wu JC, Shieh JC, Chen YT
5932 - 5942	Coupled cluster study of the (X)over-tilde(2)Pi and (A)over-tilde(2)Sigma(+) electronic states of the HCGe radical: Renner-Teller splitting and the effects of relativistic corrections Sari L, Yamaguchi Y, Schaefer HF
5943 - 5956	Complete characterization of the a (6)Delta state of the FeH radical Wilson C, Cook HM, Brown JM
5957 - 5964	Electric dipole polarizabilities of Ni12-58 Knickelbein MB
5965 - 5973	On the dynamics of rotationally broad, spatially aligned wave packets Seideman T
5974 - 5983	Nonadiabatic interactions between the ground and low-lying excited electronic states: Vibronic states of the Cl-HCl complex Zdanska P, Nachtigallova D, Nachtigall P, Jungwirth P
5984 - 5988	Interaction potentials of LiH, NaH, KH, RbH, and CsH Geum N, Jeung GH, Derevianko A, Cote R, Dalgarno A
5989 - 5993	Control, with a rf field, of photon emission times by a single molecule and its connection to laser-induced localization of an electron in a double well Makarov DE, Metiu H
5994 - 6006	Nuclear spin-spin coupling in silane and its isotopomers: Ab initio calculation and experimental investigation Sauer SPA, Raynes WT, Nicholls RA
6007 - 6011	Fourier transform millimeter-wave spectroscopy of chlorocarbene (HCCl) Yamamoto S, Habara H, Kim E, Nagasaka H
6012 - 6017	Photodissociation of the dibromomethane cation at 355 nm by means of ion velocity imaging Huang JH, Xu DD, Fink WH, Jackson WM
6018 - 6029	Structure and stability of fluorine-substituted benzene-argon complexes: The decisive role of exchange-repulsion and dispersion interactions Tarakeshwar P, Kim KS, Kraka E, Cremer D
6030 - 6035	Energetics and cooperativity in three-center hydrogen bonding interactions. I. Diacetamide-X dimers (X=HCN, CH3OH) Parra RD, Furukawa M, Gong B, Zeng XC
6036 - 6041	Energetics and cooperativity in three-center hydrogen bonding interactions. II. Intramolecular hydrogen bonding systems Parra RD, Gong B, Zeng XC
6042 - 6050	Infrared fluorescence of Xe-2 molecules in electron/proton beam excited pure Xe gas and in an Ar/Xe gas mixture Borghesani AF, Bressi G, Carugno G, Conti E, Iannuzzi D
6051 - 6057	Approach of the critical point of gas-liquid transitions in an electrostatically stabilized colloidal suspension Cousin F, Dubois E, Cabuil V
6058 - 6071	Effects of vibrational energy relaxation and reverse reaction on electron transfer kinetics and fluorescence line shapes in solution Denny RA, Bagchi B, Barbara PF
6072 - 6082	The low temperature reactive tunneling in condensed phase. I. The rate expression Basilevsky MV, Davidovitch GV
6083 - 6094	The low-temperature reactive tunneling in condensed phase. II. Multidimensional transition model Basilevsky MV, Davidovitch GV
6095 - 6105	C-rotational echo double resonance: Heteronuclear dipolar recoupling with homonuclear dipolar decoupling Chan JCC, Eckert H
6106 - 6114	Structure of the triplet excited state of bromanil from time-resolved resonance Raman spectra and simulation Puranik M, Umapathy S, Snijders JG, Chandrasekhar J
6115 - 6129	Influence of solute-solvent interactions on the local solvent density augmentation in supercritical fluids: An integral equation study Perera A
6130 - 6135	The escaped charge problem in solvation continuum models Cances E, Mennucci B
6136 - 6157	Magic number behavior for heat capacities of medium-sized classical Lennard-Jones clusters Frantz DD
6158 - 6172	Solvation of ion-pair states in nonpolar media: I-2 in solid neon, argon and krypton Helbing J, Chergui M
6173 - 6178	Electron transfer reactions at metal electrodes: Influence of work function on free energy of activation and exchange current density Harinipriya S, Sangaranarayanan MV
6179 - 6184	Novel nonlinear optical organic materials: Dithienylethylenes Sahraoui B, Kityk IV, Fuks I, Paci B, Baldeck P, Nunzi JM, Frere P, Roncali J
6185 - 6191	Monte Carlo computer simulation of spreading pressure-area isotherms of Langmuir monolayers of fatty-acid molecules Polimeno A, Ros JM, Levine YK
6192 - 6199	Nearly constant loss or constant loss in ionically conducting glasses: A physically realizable approach Macdonald JR
6200 - 6203	Wetting on a geometrically structured substrate Bruschi L, Carlin A, Mistura G
6204 - 6209	Racemic and chiral structures of banana-shaped smectic liquid crystals viewed as one-dimensional piezoelectric crystals Wu CX, Yamazaki Y, Zhong-can OY
6210 - 6219	Coarse-grained interactions in polymer melts: A variational approach Akkermans RLC, Briels WJ
6220 - 6235	Equation of state of model branched alkanes: Theoretical predictions and configurational bias Monte Carlo simulations MacDowell LG, Vega C, Sanz E
6236 - 6242	Monte Carlo simulation studies of the correlation between global size and helical structures in biopolymers Zifferer G, Hofstetter M, Olaj OF
6243 - 6251	Micelle formation of randomly grafted copolymers in slightly selective solvents Kreig A, Lefebvre AA, Hahn H, Balsara NP, Qi SY, Chakraborty AK, Xenidou M, Hadjichristidis N
6252 - 6257	The bridging conformations of double-end anchored polymer-surfactants destabilize a hydrogel of lipid membranes Slack NL, Davidson P, Chibbaro MA, Jeppesen C, Eiselt P, Warriner HE, Schmidt HW, Pincus P, Safinya CR
6258 - 6265	Novel method to estimate solubility of small molecules in cis-polyisoprene by molecular dynamics simulations Kikuchi H, Kuwajima S, Fukuda M
6266 - 6267	Test of variational transition state theory with multidimensional tunneling contributions against an accurate full-dimensional rate constant calculation for a six-atom system Pu JZ, Corchado JC, Truhlar DG
6268 - 6268	Erratum: "Nonexponentiality of time dependent survival probability and the fractional viscosity dependence of the rate in diffusion controlled reactions in a polymer chain" (vol 114, pg 9170, 2001) Srinivas G, Yethiraj A, Bagchi B