Journal of Chemical Physics

Journal of Chemical Physics, Vol.119, No.4 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (72 articles)

1889 - 1892	An improved density functional description of hard sphere polymer fluids at low density Forsman J, Woodward CE
1893 - 1896	Double incoherent light scattering induced by molecular interactions in binary mixtures Le Duff Y
1897 - 1900	Ideal glass transitions in thin films: An energy landscape perspective Truskett TM, Ganesan V
1901 - 1908	Equation-of-motion coupled cluster method with full inclusion of connected triple excitations for electron-attached states: EA-EOM-CCSDT Musial M, Bartlett RJ
1909 - 1915	Dose dependence of surface plasmon resonance of a Ti-SiO2 nanoparticle composite Zhao JP, Chen ZY, Rabalais JW
1916 - 1921	Integral expressions satisfied by the gradient of density functional potentials Joubert DP
1922 - 1928	On the perturbation of multiconfiguration wave functions Rolik Z, Szabados A, Surjan PR
1929 - 1936	Generalization of the Nose-Hoover approach Branka AC, Kowalik M, Wojciechowski KW
1937 - 1950	Physical interpretation and evaluation of the Kohn-Sham and Dyson components of the epsilon-I relations between the Kohn-Sham orbital energies and the ionization potentials Gritsenko OV, Braida B, Baerends EJ
1951 - 1960	Automated calculation of fundamental frequencies: Application to AlH3 using the coupled-cluster singles-and-doubles with perturbative triples method Ruden TA, Taylor PR, Helgaker T
1961 - 1969	Nine-dimensional quantum molecular dynamics simulation of intramolecular vibrational energy redistribution in the CHD3 molecule with the help of coupled coherent states Shalashilin DV, Child MS
1970 - 1977	The structures of fluorene-(H2O)(1,2) determined by rotational coherence spectroscopy Laman DM, Joly AG, Ray D
1978 - 1985	Experimental and theoretical investigation of the production of cations containing C-N bonds in the reaction of benzene with atomic nitrogen ions Di Stefano M, Rosi M, Sgamellotti A, Ascenzi D, Bassi D, Franceschi P, Tosi P
1986 - 1995	Microscopic two-fluid theory of rotational constants of the OCS-H-2 complex in He-4 droplets Kwon Y, Whaley KB
1996 - 2003	Quantum/classical studies of O(P-3)+Ar center dot HCl collision dynamics Wang L, McCoy AB
2004 - 2013	Theoretical ab initio study of the electronic states of KrH and KrH+: Quantum defect and complex coordinate calculations on the Rydberg states of KrH Petsalakis ID, Theodorakopoulos G, Buenker RJ
2014 - 2019	Spin-orbit density functional theory calculations for heavy metal monohydrides Choi YJ, Lee YS
2020 - 2031	Vibrational relaxation in I-2(-)(Ar)(n) (n=1,2,6,9) and I-2(-)(CO2)(n) (n=1,4,5) clusters excited by femtosecond stimulated emission pumping Davis AV, Wester R, Bragg AE, Neumark DM
2032 - 2036	Photodissociation dynamics of azulene Lin MF, Huang CL, Lee YT, Ni CK
2037 - 2046	The electronic spectroscopy and molecular structure of the HPCl free radical: A potential III-V semiconductor growth intermediate Tackett BS, He SG, Evans CJ, Clouthier DJ, Judge RH
2047 - 2056	A study of the molecular structure and Renner-Teller effect in the (A)over-tilde (2)Pi(u)-(X)over-tilde (2)Pi(g) electronic spectrum of jet-cooled boron disulfide, BS2 He SG, Evans CJ, Clouthier DJ
2057 - 2061	A scaling rule for molecular electronic transition dipole moments: Application to asymptotically allowed and forbidden transitions Johnston CW, van der Mullen JJAM
2062 - 2074	Two-color photoassociation spectroscopy of the lowest triplet potential of Na-2 de Araujo LEE, Weinstein JD, Gensemer SD, Fatemi FK, Jones KM, Lett PD, Tiesinga E
2075 - 2082	Ab initio studies of ClOx reactions. VIII. Isomerization and decomposition of ClO2 radicals and related bimolecular processes Zhu RS, Lin MC
2083 - 2087	Atomic and molecular stabilization in two-frequency laser fields Datta A, Bhattacharyya SS, Lee S, Kim B
2088 - 2101	An intermediate state representation approach to K-shell ionization in molecules. II. Computational tests Thiel A, Schirmer J, Koppel H
2102 - 2119	State-of-the-art correlated ab initio potential energy curves for heavy rare gas dimers: Ar-2, Kr-2, and Xe-2 Slavicek P, Kalus R, Paska P, Odvarkova I, Hobza P, Malijevsky A
2120 - 2126	General features of the energy landscape in Lennard-Jones-like model liquids Angelani L, Ruocco G, Sampoli M, Sciortino F
2127 - 2143	Molecular dynamics study of the photodissociation and photoisomerization of ICN in water Winter N, Chorny I, Vieceli J, Benjamin I
2144 - 2146	The kinetics of mixing and the fluctuation theorem in ideal mixtures of two-component model fluids Baranyai A
2147 - 2154	Free-energy calculations of elemental sulphur crystals via molecular dynamics simulations Pastorino C, Gamba Z
2155 - 2164	Two-dimensional vibrational spectroscopy of a double minimum system in a dissipative environment Kuhn O, Tanimura Y
2165 - 2170	Fractional reaction-diffusion equation Seki K, Wojcik M, Tachiya M
2171 - 2180	Vibrational energy relaxation in classical fluids. II. High-frequency spectra in liquids Teubner M, Schwarzer D
2181 - 2187	Polarizability anisotropy relaxation in pure and aqueous dimethylsulfoxide Skaf MS, Vechi SM
2188 - 2191	A self-consistent integral equation: Bridge function and thermodynamic properties for the Lennard-Jones fluid Bomont JM, Bretonnet JL
2192 - 2198	The role of atomic quadrupoles in intermolecular electrostatic interactions of polar and nonpolar molecules Torii H
2199 - 2205	An algorithm to describe molecular scale rugged surfaces and its application to the study of a water/lipid bilayer interface Pandit SA, Bostick D, Berkowitz ML
2206 - 2213	Aggregation of ions in methanol-water solutions of sodium halides Hawlicka E, Swiatla-Wojcik D
2214 - 2222	Photon statistics in the fluorescence of single molecules and nanocrystals: Correlation functions versus distributions of on- and off-times Verberk R, Orrit M
2223 - 2231	Fluorescence quenching with exponential distance dependence: Application to the external heavy-atom effect Rae M, Fedorov A, Berberan-Santos MN
2232 - 2240	High-pressure stability, transformations, and vibrational dynamics of nitrosonium nitrate from synchrotron infrared and Raman spectroscopy Song Y, Hemley RJ, Liu ZX, Somayazulu M, Mao HK, Herschbach DR
2241 - 2246	Determination of the nucleus size from the growth probability of clusters ter Horst JH, Kashchiev D
2247 - 2255	Molecular dynamics simulation study of N-methylacetamide in water. I. Amide I mode frequency fluctuation Kwac K, Cho MH
2256 - 2263	Molecular dynamics simulation study of N-methylacetamide in water. II. Two-dimensional infrared pump-probe spectra Kwac K, Cho MH
2264 - 2274	Resonance energy transfer: The unified theory revisited Daniels GJ, Jenkins RD, Bradshaw DS, Andrews DL
2275 - 2283	Phase separation dynamics in binary fluids containing quenched or mobile filler particles Laradji M, MacNevin G
2284 - 2287	Optical properties of CdSe quantum dots Troparevsky MC, Kronik L, Chelikowsky JR
2288 - 2295	A modified fundamental measure theory for spherical particles in microchannels Yu YX, Wu JZ
2296 - 2300	Single molecule vibrational and electronic analyses of the formation of inorganic complexes: CO bonding to Au and Ag atoms on NiAl(110) Wallis TM, Nilius N, Ho W
2301 - 2306	Adsorption hysteresis in ink-bottle pore Morishige K, Tateishi N
2307 - 2313	The microscopic origin of optical phonon evolution during water oxidation of Si(100) Queeney KT, Weldon MK, Chabal YJ, Raghavachari K
2314 - 2321	Squeezing molecular thin alkane lubrication films between curved solid surfaces with long-range elasticity: Layering transitions and wear Sivebaek IM, Samoilov VN, Persson BNJ
2322 - 2332	Modeling of temporally complex breathing patterns during Pd-catalyzed CO oxidation Nekhamkina O, Digilov R, Sheintuch M
2333 - 2337	Determination of quantum confinement in CdSe nanocrystals by cyclic voltammetry Kucur E, Riegler J, Urban GA, Nann T
2338 - 2347	A simple harmonic model as a caricature for mismatch and relaxation effects for ion hopping dynamics in solid electrolytes Kunow M, Heuer A
2348 - 2354	The time-of-flight signal in a Gaussian disordered chain Freire JA, da Luz MGE
2355 - 2362	Adsorption and depletion of polyelectrolytes from charged surfaces Shafir A, Andelman D, Netz RR
2363 - 2368	Buckling and persistence length of an amphiphilic w orm from molecular dynamics simulations den Otter WK, Shkulipa SA, Briels WJ
2369 - 2375	Interfacial tension of a salty droplet: Monte Carlo study Ho CH, Tsao HK, Sheng YJ
2376 - 2385	Theoretical evaluation of hydrogen storage capacity in pure carbon nanostructures Li J, Furuta T, Goto H, Ohashi T, Fujiwara Y, Yip S
2386 - 2398	Structure and phase transitions in confined binary colloid mixtures Cui B, Lin B, Rice SA
2399 - 2405	A microscopic approach to studying colloidal stability Sun Z, Xu S, Dai G, Li Y, Lou L, Liu Q, Zhu R
2406 - 2413	Influence of salt on the structure of polyelectrolyte solutions: An integral equation theory approach Hofmann T, Winkler RG, Reineker P
2414 - 2421	Statistical mechanics of pseudoknot polymers Lucas A, Dill KA
2422 - 2431	Dynamics of the hydrogen and phosphate ions in proton conducting gel/D3PO4 electrolytes: A H-2 and P-31 nuclear magnetic resonance study Jeffrey KR, Zukowska GZ, Stevens JR, Zukowska GZ
2432 - 2438	Phase transitions of short chains at ultralow temperature Huang L, He XH, Wang YY, Chen HN, Liang HJ
2439 - 2443	Monte Carlo simulation of polymer chain with ferromagnetic Ising interaction Luo MB, Huang JH
2444 - 2455	Monte Carlo simulations and dynamic field theory for suspended particles in liquid crystalline systems Grollau S, Kim EB, Guzman O, Abbott NL, de Pablo JJ
2456 - 2462	A new double-rebridging technique for linear polyethylene Banaszak BJ, de Pablo JJ
2463 - 2470	Dependence on sphere size of the phase behavior of mixtures of rods and spheres Urakami N, Imai M
2471 - 2477	Coexistence curves for melts of lattice polymers with structured monomers: Monte Carlo computations and the lattice cluster theory Buta D