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The Journal of Chemical Physics|August 27, 2005
Recent development of self-interaction-free time-dependent density-functional theory for nonperturbative treatment of atomic and molecular multiphoton processes in intense laser fieldsShih-I ChuThe Journal of Chemical Physics|August 27, 2005
Electronic decoherence time for non-Born-Oppenheimer trajectoriesAhren W Jasper, Donald G TruhlarThe Journal of Chemical Physics|August 27, 2005
Constant-atomic-final-state filtering of dissociative states in the O1s-->sigma* core excitation in O2I Hjelte, O Björneholm, V Carravetta, et al.The Journal of Chemical Physics|August 27, 2005
Structure and stability of binary transition-metal clusters (NbCo)n (n < or = 5): a relativistic density-functional studyXian Wang, Zexing Cao, Xin Lu, et al.The Journal of Chemical Physics|September 24, 2005
Large systems at ab initio multireference level: a cheap treatment thanks to a division into fragmentsFabienne Bessac, Sophie Hoyau, Daniel MaynauThe Journal of Chemical Physics|September 24, 2005
Recombination of polycyclic aromatic hydrocarbon photoions with electrons in a flowing afterglow plasmaO Novotný, B Sivaraman, C Rebrion-Rowe, et al.The Journal of Chemical Physics|September 24, 2005
The effect of substituents on electronic states' ordering in meta-xylylene diradicals: qualitative insights from quantitative studiesTao Wang, Anna I KrylovThe Journal of Chemical Physics|September 24, 2005
A density-functional study on pi-aromatic interaction: benzene dimer and naphthalene dimerTakeshi Sato, Takao Tsuneda, Kimihiko HiraoThe Journal of Chemical Physics|September 24, 2005
Assessment of phenomenological models for viscosity of liquids based on nonequilibrium atomistic simulations of copperPeng Xu, Tahir Cagin, William A GoddardThe Journal of Chemical Physics|September 24, 2005
Chemical and icosahedral short-range orders in liquid and undercooled Al80Mn20 and Al80Ni20 alloys: a first-principles-based approachN Jakse, O Le Bacq, A PasturelPageof 5,307