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The Journal of Chemical Physics|September 13, 2006
Theoretical study of the photodesorption mechanism of nitric oxide on a Ag(111) surface: a nonequilibrium Green's function approach to hot-electron tunnelingHisao Nakamura, Koichi Yamashita
The Journal of Chemical Physics|September 13, 2006
Effect of confinement by porous carbons on the unimolecular decomposition of formaldehydeErik E Santiso, Aaron M George, Keith E Gubbins, et al.
The Journal of Chemical Physics|September 13, 2006
Insight into the solvent effect: a density functional theory study of cisplatin hydrolysisTao Song, P Hu
The Journal of Chemical Physics|September 13, 2006
A restricted-open-shell complete-basis-set model chemistryGeoffrey P F Wood, Leo Radom, George A Petersson, et al.
The Journal of Chemical Physics|September 13, 2006
Gas-liquid phase separation in oppositely charged colloids: stability and interfacial tensionAndrea Fortini, Antti-Pekka Hynninen, Marjolein Dijkstra
The Journal of Chemical Physics|September 13, 2006
The anisotropic hard-sphere crystal-melt interfacial free energy from fluctuationsRuslan L Davidchack, James R Morris, Brian B Laird
The Journal of Chemical Physics|September 13, 2006
Electronic transportation through asymmetrically substituted oligo(phenylene ethynylene)s: studied by first principles nonequilibrium Green's function formalismXing Yin, Hongmei Liu, Jianwei Zhao
The Journal of Chemical Physics|September 13, 2006
Virial coefficients and osmotic pressure in polymer solutions in good-solvent conditionsSergio Caracciolo, Bortolo Matteo Mognetti, Andrea Pelissetto
The Journal of Chemical Physics|September 13, 2006
Determination of conformational free energies of peptides by multidimensional adaptive umbrella samplingJun Wang, Yan Gu, Haiyan Liu
The Journal of Chemical Physics|September 27, 2006
Two-dimensional quantum propagation using wavelets in space and timeDouglas K Sparks, Bruce R Johnson
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