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The Journal of Chemical Physics|June 3, 2008
Virial exchange energies from model exact-exchange potentialsAlex P Gaiduk, Viktor N Staroverov
The Journal of Chemical Physics|June 3, 2008
Spectroscopic data for the LiH molecule from pseudopotential quantum Monte Carlo calculationsJ R Trail, R J Needs
The Journal of Chemical Physics|June 3, 2008
Determination of free energy profiles by repository based adaptive umbrella sampling: bridging nonequilibrium and quasiequilibrium simulationsHan Zheng, Yingkai Zhang
The Journal of Chemical Physics|June 3, 2008
A stereographic projection path integral study of the coupling between the orientation and the bending degrees of freedom of waterE Curotto, David L Freeman, J D Doll
The Journal of Chemical Physics|June 3, 2008
The restricted active space followed by second-order perturbation theory method: theory and application to the study of CuO2 and Cu2O2 systemsPer Ake Malmqvist, Kristine Pierloot, Abdul Rehaman Moughal Shahi, et al.
The Journal of Chemical Physics|June 3, 2008
The theoretical prediction of infrared spectra of trans- and cis-hydroxycarbene calculated using full dimensional ab initio potential energy and dipole moment surfacesLucas Koziol, Yimin Wang, Bastiaan J Braams, et al.
The Journal of Chemical Physics|June 3, 2008
A plastic phase of water from computer simulationYoshio Takii, Kenichiro Koga, Hideki Tanaka
The Journal of Chemical Physics|June 3, 2008
X-ray absorption spectra of hexagonal ice and liquid water by all-electron Gaussian and augmented plane wave calculationsMarcella Iannuzzi
The Journal of Chemical Physics|June 3, 2008
Infrared absorption spectra of vinyl radicals isolated in solid NeYu-Jong Wu, Meng-Yeh Lin, Bing-Ming Cheng, et al.
The Journal of Chemical Physics|June 3, 2008
Density profiles and solvation forces for a Yukawa fluid in a slit poreS Karanikas, J Dzubiella, A Moncho-Jordá, et al.
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