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The Journal of Chemical Physics|September 9, 2004
Phase behavior of polarizable spherocylinders in external fieldsMelissa Rotunno, Tommaso Bellini, Yves Lansac, et al.
The Journal of Chemical Physics|December 21, 2004
Energy controlled insertion of polar molecules in dense fluidsGianni De Fabritiis, Rafael Delgado-Buscalioni, Peter V Coveney
The Journal of Chemical Physics|December 21, 2004
Exchange-correlation potentials for high-electron-density ions in the Be isoelectronic seriesRobert C Morrison, Libero J Bartolotti
The Journal of Chemical Physics|December 21, 2004
Vibrational molecular quantum computing: basis set independence and theoretical realization of the Deutsch-Jozsa algorithmCarmen M Tesch, Regina de Vivie-Riedle
The Journal of Chemical Physics|December 21, 2004
The numerical stability of leaping methods for stochastic simulation of chemically reacting systemsYang Cao, Linda R Petzold, Muruhan Rathinam, et al.
The Journal of Chemical Physics|December 21, 2004
Time-dependent density functional theory based on a noncollinear formulation of the exchange-correlation potentialFan Wang, Tom Ziegler
The Journal of Chemical Physics|December 21, 2004
Combined coupled-cluster and many-body perturbation theoriesSo Hirata, Peng-Dong Fan, Alexander A Auer, et al.
The Journal of Chemical Physics|December 21, 2004
Vibrational spectra from atomic fluctuations in dynamics simulations. I. Theory, limitations, and a sample applicationMatthias Schmitz, Paul Tavan
The Journal of Chemical Physics|December 21, 2004
Structural and electronic properties of TaSi(n) (n=1-13) clusters: a relativistic density functional investigationPing Guo, Zhao-Yu Ren, Fan Wang, et al.
The Journal of Chemical Physics|December 21, 2004
Infrared spectrum and predissociation dynamics of H2O+ -ArO Dopfer, V Engel
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