Journal of Chemical Physics

Journal of Chemical Physics, Vol.120, No.11 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (59 articles)

5001 - 5004	Electric field-controlled water permeation coupled to ion transport through a nanopore Dzubiella J, Allen RJ, Hansen JP
5005 - 5016	Multireference spin-adapted variant of density functional theory Khait YG, Hoffmann MR
5017 - 5026	Block-correlated coupled cluster theory: The general formulation and its application to the antiferromagnetic Heisenberg model Li SH
5027 - 5035	Density-functional theory calculations of optical rotatory dispersion in the nonresonant and resonant frequency regions Norman P, Ruud K, Helgaker T
5036 - 5045	Simple and accurate method to evaluate tunneling splitting in polyatomic molecules Mil'nikova GV, Yagi K, Taketsugu T, Nakamura H, Hirao K
5046 - 5052	Energy partitioning for "fuzzy" atoms Salvador P, Mayer I
5053 - 5056	Decoupling quantum dissipation interaction via stochastic fields Shao JS
5057 - 5063	Mass analyzed threshold ionization spectroscopy of 5-methylindole and 3-methylindole cations and the methyl substitution effect Lin JL, Zhang S, Tzeng WB
5064 - 5066	Quantum solvation of phthalocyanine in superfluid helium droplets Lehnig R, Slenczka A
5067 - 5072	Photophysics of protoporphyrin ions in vacuo: Triplet-state lifetimes and quantum yields Calvo MR, Andersen JU, Hvelplund P, Nielsen SB, Pedersen UV, Rangama J, Tomita S, Forster JS
5073 - 5080	An ab initio study of the competing reaction channels in the reaction of HOCO radicals with NO and O-2 Poggi G, Francisco JS
5081 - 5086	First principles study of the stability and electronic structure of the icosahedral La-13, La-13(-1), and La-13(+1) clusters Zhang DB, Shen J
5087 - 5095	Internal state distributions of fragment HCO via S-0 and T-1 pathways of glyoxal after photolysis in the ultraviolet region Kao CC, Ho ML, Chen MW, Lee SJ, Chen IC
5096 - 5103	Comparing the dynamical effects of symmetric and antisymmetric stretch excitation of methane in the Cl+CH4 reaction Bechtel HA, Camden JP, Brown DJA, Zare RN
5104 - 5109	Ground state, growth, and electronic properties of small lanthanum clusters Zhang DB, Shen J
5110 - 5116	Submillimeter-wave spectra of hypoiodous acid Ozeki H, Saito S
5117 - 5127	Selective photochemistry via adiabatic passage: Degenerate product states with different lifetimes Gong JB, Rice SA
5128 - 5132	Stability and structure of LinH molecules (n=3-6): Experimental and density functional study Wu CH, Jones RO
5133 - 5147	Excitations, optical absorption spectra, and optical excitonic gaps of heterofullerenes. 1. C-60, C59N+, and C48N12: Theory and experiment Xie RH, Bryant GW, Sun GY, Nicklaus MC, Heringer D, Frauenheim T, Manaa MR, Smith VH, Araki Y, Ito O
5148 - 5154	Effects of solvation and core switching on the photoelectron angular distributions from (CO2)(n)(-) and (CO2)(n)(-)center dot H2O Mabbs R, Surber E, Velarde L, Sanov A
5155 - 5163	Electronic spectroscopy and ionization potential of UO2 in the gas phase Han JD, Goncharov V, Kaledin LA, Komissarov AV, Heaven MC
5164 - 5168	How much can an intermediate state influence competing reactive pathways? Despa F, Berry RS
5169 - 5175	A study of the reactions of molecular hydrogen with small gold clusters Varganov SA, Olson RM, Gordon MS, Mills G, Metiu H
5176 - 5180	Quantum control of molecular orientation by two-color laser fields Ohmura H, Nakanaga T
5181 - 5191	Ab initio potential energy surface, variational transition state theory, and quasiclassical trajectory studies of the F+CH4 -> HF+CH3 reaction Troya D, Millan J, Banos I, Gonzalez M
5192 - 5198	A first principles simulation of rigid water Allesch M, Schwegler E, Gygi F, Galli G
5199 - 5207	The lattice and rotational dynamics of the methyl halides described by pair potentials based on universal force fields Kirstein O, Prager M
5208 - 5216	Lattice gas 2D/3D equilibria: Chemical potentials and adsorption isotherms with correct critical points Aranovich GL, Erickson JS, Donohue MD
5217 - 5225	Structure and dynamics of orientational defects in ice I Grishina N, Buch V
5226 - 5234	On the use of the quasi-Gaussian entropy theory in the study of simulated dilute solutions D'Abramo M, D'Alessandro M, Amadei A
5235 - 5252	Nature of long-range correlations of density fluctuations in glass-forming liquids Bakai AS, Fischer EW
5253 - 5260	Covariance nuclear magnetic resonance spectroscopy Bruschweiler R, Zhang FL
5261 - 5268	Molecular dynamics simulations of the Ag+ or Na+ cation with an excess electron in bulk water Spezia R, Nicolas C, Archirel P, Boutin A
5269 - 5274	Coherent interactions in femtosecond transient grating Park JS, Joo T
5275 - 5284	Degenerate two-photon-absorption spectral studies of highly two-photon active organic chromophores He GS, Lin TC, Dai JM, Prasad PN, Kannan R, Dombroskie AG, Vaia RA, Tan LS
5285 - 5292	A trimer model for water Girardi M, Figueiredo W
5293 - 5308	The evaporation/condensation transition of liquid droplets MacDowell LG, Virnau P, Muller M, Binder K
5309 - 5314	The relationship between crystal structure and methyl and t-butyl group dynamics in van der-Waals organic solids Beckmann PA, Paty C, Allocco E, Herd M, Kuranz C, Rheingold AL
5315 - 5321	Translational and rotational diffusion of SF6 in zeolite NaY Ghorai PK, Yashonath S
5322 - 5326	Orientational orders of small anisotropic molecules confined in slit pores Zhou X, Chen H, Iwamoto M
5327 - 5333	High pressure reactivity of propene by first principles molecular dynamics calculations Mugnai M, Cardini G, Schettino V
5334 - 5338	Interfacial glass transition profiles in ultrathin, spin cast polymer films Sills S, Overney RM, Chau W, Lee VY, Miller RD, Frommer J
5339 - 5346	High-dimensional quantum dynamical study of the dissociation of H-2 on Pd(110) Dianat A, Gross A
5347 - 5352	Local chemical reaction of benzene on Cu(110) via STM-induced excitation Komeda T, Kim Y, Fujita Y, Sainoo Y, Kawai M
5353 - 5365	Poisson-Boltzmann theory of the charge-induced adsorption of semi-flexible polyelectrolytes Ubbink J, Khokhlov AR
5366 - 5376	Influences of hydration force and elastic strain energy on the stability of solid film in a very thin solid-on-liquid structure Yang CY, Zhao YP
5377 - 5386	Vibrational behavior of adsorbed CO2 on single-walled carbon nanotubes Yim WL, Byl O, Yates JT, Johnson JK
5387 - 5395	Free energy, energy, and entropy of swelling in Cs-, Na-, and Sr-montmorillonite clays Whitley HD, Smith DE
5396 - 5406	Modeling molecular transport in slit pores Jepps OG, Bhatia SK, Searles DJ
5407 - 5413	The interface between benzenes (C6H6; C6H5Cl;2-C6H4OHCl) and amorphous solid water studied with metastable impact electron spectroscopy and ultraviolet photoelectron spectroscopy (HeI and II) Borodin A, Hofft O, Kahnert U, Kempter V, Krischok S, Abou-Helal MO
5414 - 5423	Effects of carbon on the stability and chemical performance of transition metal carbides: A density functional study Liu P, Rodriguez JA
5424 - 5431	Hydrogen desorption kinetics from the Si(1-x)Gex(100)-(2X1) surface Tok ES, Ong SW, Kang HC
5432 - 5443	Isometric graphing and multidimensional scaling for reaction-diffusion modeling on regular and fractal surfaces with spatiotemporal pattern recognition Kuriakose J, Ghosh A, Kumar VR, Kulkarni BD
5444 - 5454	Plasmon hybridization in spherical nanoparticles Prodan E, Nordlander P
5455 - 5462	Johari-Goldstein relaxation and crystallization of sorbitol to ordered and disordered phases Power G, Vij JK
5463 - 5468	Hydrogen atom formation from the photodissociation of water ice at 193 nm Yabushita A, Hashikawa Y, Ikeda A, Kawasaki M, Tachikawa H
5469 - 5475	Elastic behavior of short compact polymers Sun TT, Zhang LX, Chen J, Shen Y
5476 - 5485	Spreading of block copolymer films and domain alignment at moving terrace steps Belyi VA, Witten TA
5486 - 5492	Cubatic phase for tetrapods Blaak R, Mulder BM, Frenkel D