Journal of Chemical Physics

Journal of Chemical Physics, Vol.118, No.12 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (49 articles)

5275 - 5278	Probing a strong hydrogen bond with infrared spectroscopy: Vibrational predissociation of BrHBr-center dot Ar Pivonka NL, Kaposta C, Brummer M, von Helden G, Meijer G, Woste L, Neumark DM, Asmis KR
5279 - 5282	Three-dimensional orientation of single molecules observed by far- and near-field fluorescence microscopy Vacha M, Kotani M
5283 - 5286	Mass and size effects on the memory function of tracer particles Kneller GR, Hinsen K, Sutmann G
5287 - 5301	A simple model for the calculation of nonlinear optical response functions and femtosecond time-resolved spectra Gelin MF, Pisliakov AV, Egorova D, Domcke W
5302 - 5318	Time-dependent discrete variable representation method in a tunneling problem Barkakaty B, Adhikari S
5319 - 5325	Mixed quantum-classical dynamics response function approach to spectroscopy Toutounji M
5326 - 5334	Correlation energy estimates in periodic extended systems using the localized natural bond orbital coupled cluster approach Flocke N, Bartlett RJ
5335 - 5346	Ab initio theoretical studies on U3+ and on the structure and spectroscopy of U3+ substitutional defects in Cs2NaYCl6, 5f (2)6d(1) manifold Seijo L, Barandiaran Z
5347 - 5355	Cell multipole method for molecular simulations in bulk and confined systems Zheng J, Balasundaram R, Gehrke SH, Heffelfinger GS, Goddard WA, Jiang SY
5356 - 5363	Construction of electronic diabatic states within a molecular orbital scheme Troisi A, Orlandi G
5364 - 5368	Quadratically convergent algorithm for fractional occupation numbers in density functional theory Cances E, Kudin KN, Scuseria GE, Turinici G
5369 - 5382	Optimal Hamiltonian identification: The synthesis of quantum optimal control and quantum inversion Geremia JM, Rabitz H
5383 - 5389	Dissociation of multiply ionized carbonyl sulfide due to electron impact Wang PQ, Vidal CR
5390 - 5394	Preferential formation of neutral C-10 upon laser vaporized graphite in He gas as studied by photoionization mass spectroscopy with 10.5 eV photons Kato Y, Wakabayashi T, Momose T
5395 - 5399	Steric effect in the endothermic Penning ionization reaction of tert-butyl bromide with Kr(P-3) Koizumi K, Ohoyama H, Okada S, Kasai T
5400 - 5407	Excited state tautomerism of the DNA base guanine: A restricted open-shell Kohn-Sham study Langer H, Doltsinis NL
5408 - 5412	Time-resolved kinetic studies on quenching of NCO (A(2)Sigma(+)) by alkanes and substituted methane molecules Hu CJ, Zhu ZQ, Pei LS, Ran Q, Chen Y, Chen CX, Ma XX
5413 - 5421	The singlet electronic excited states of the F-2 molecule Moriyama H, Wasada-Tsutsui Y, Sekiya M, Tatewaki H
5422 - 5430	Zeeman spectra of the (A)over-tilde(1)A(u)<-(X)over-tilde (1)A(g) transition of trans-glyoxal studied by Doppler-free two-photon fluorescence excitation spectroscopy Misono M, Wang JG, Kato H, Baba M
5431 - 5441	Ab initio potential energy surface and rovibrational energies of H3O+ and its isotopomers Huang XC, Carter S, Bowman J
5442 - 5455	Variable reaction coordinate transition state theory: Analytic results and application to the C2H3+H -> C2H4 reaction Georgievskii Y, Klippenstein SJ
5456 - 5464	Photodissociation of Mg(CH2 = CHCN)(n)(+): Excited electronic states of n=1 and 2 and intracluster electron transfer for n=3 and 4 Furuya A, Ohshimo K, Tsunoyama H, Misaizu F, Ohno K, Watanabe H
5465 - 5473	Small angle neutron scattering from D2O-H2O nanodroplets and binary nucleation rates in a supersonic nozzle Heath CH, Streletzky KA, Wyslouzil BE, Wolk J, Strey R
5474 - 5483	Interaction energy surfaces of small hydrocarbon molecules Jalkanen JP, Pakkanen TA, Yang Y, Rowley RL
5484 - 5495	The potential energy surface for spin-aligned Li-3(1 (4)A(')) and the potential energy curve for spin-aligned Li-2(a (3)Sigma(+)(u)) Colavecchia FD, Burke JP, Stevens WJ, Salazar MR, Parker GA, T Pack R
5496 - 5505	Broadband population inversion by a frequency-swept pulse beyond the adiabatic approximation Mitschang L, Rinneberg H
5506 - 5509	The dynamic Jahn-Teller effect applied to the temperature-dependent paramagnetic susceptibilities of Ti3+: Al2O3 Quade CR, Mires RW, Brumage WH, Dorman CF
5510 - 5515	On the scaling behavior of the free energetics of nucleation Kusaka I
5516 - 5525	Orientation-dependent integral equation theory for a two-dimensional model of water Urbic T, Vlachy V, Kalyuzhnyi YV, Dill KA
5526 - 5536	Resonance Raman study of the solvent dynamics for ultrafast charge transfer transition in 4-nitro-4(')-dimethylamino-azobenzene Biswas N, Umapathy S
5537 - 5541	Temperature dependence of lithium ion solvation in ethylene carbonate-LiClO4 solutions Castriota M, Cazzanelli E, Nicotera I, Coppola L, Oliviero C, Ranieri GA
5542 - 5546	Anomalous x-ray diffraction studies of Sr2+ hydration in aqueous solution Ramos S, Neilson GW, Barnes AC, Capitan MJ
5547 - 5557	Multiple-spin effects in fast magic angle spinning Lee-Goldburg cross-polarization experiments in uniformly labeled compounds Ladizhansky V, Vinogradov E, van Rossum BJ, de Groot HJM, Vega S
5558 - 5565	Density-dependent solvation dynamics in a simple Lennard-Jones fluid Martins MM, Stassen H
5566 - 5581	Orbitally dependent magnetic coupling between cobalt(II) ions: The problem of the magnetic anisotropy Palii AV, Tsukerblat BS, Coronado E, Clemente-Juan JM, Borras-Almenar JJ
5582 - 5586	Contribution of colliding parallel electron spins to electron paramagnetic resonance spectral narrowing Kolbasov D, Norris JR
5587 - 5595	Vibrational relaxation of CH2I2 in solution: Excitation level dependence Elles CG, Bingemann D, Heckscher MM, Crim FF
5596 - 5606	Non-Condon theory of nonadiabatic electron transfer reactions in V-shaped donor-bridge-acceptor complexes Milischuk A, Matyushov DV
5607 - 5612	Electronic structure of electrochemically Li-inserted TiO2 studied with synchrotron radiation electron spectroscopies Henningsson A, Rensmo H, Sandell A, Siegbahn H, Sodergren S, Lindstrom H, Hagfeldt A
5613 - 5622	Water adsorption on hydrophilic mesoporous and plane silica substrates: A grand canonical Monte Carlo simulation study Puibasset J, Pellenq RJM
5623 - 5634	The crystalline surfaces of beta-PdH{111}: Ideal surface terminations of a stoichiometric bulk compound relevant to heterogeneous catalysis Jigato MP, Coussens B, King DA
5635 - 5639	Surface tension of a square well fluid Orea P, Duda Y, Alejandre J
5640 - 5649	Detection of phase transition of monolayers at the air-water interface by compression using Maxwell displacement current and optical second harmonic generation Tojima A, Manaka T, Iwamoto M, Zhong-can OY
5650 - 5657	Density functional theory investigation of H adsorption on the basal plane of boron-doped graphite Ferro Y, Marinelli F, Allouche A, Brosset C
5658 - 5664	Multiaxial deformations of end-linked poly(dimethylsiloxane) networks. 4. Further assessment of the slip-link model for chain-entanglement effect on rubber elasticity Urayama K, Kawamura T, Kohjiya S
5665 - 5672	Free energy and size distributions of micelles in solution Christopher PS, Oxtoby DW
5673 - 5682	Interbasin motion approach to dynamics of conformationally constrained peptides Despa F, Fernandez A, Berry RS, Levy Y, Jortner J
5683 - 5691	Critical fluctuations in the domain structure of lipid membranes Halstenberg S, Schrader W, Das P, Bhattacharjee JK, Kaatze U
5692 - 5692	Analytical time-dependent Hartree-Fock schemes for the evaluation of the hyper-Raman intensities (vol 117, pg 2481, 2002) Quinet O, Champagne B