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The Journal of Chemical Physics|April 12, 2013
Unrestricted absolutely localized molecular orbitals for energy decomposition analysis: theory and applications to intermolecular interactions involving radicalsPaul R Horn, Eric Jon Sundstrom, Thomas A Baker, et al.The Journal of Chemical Physics|April 12, 2013
Accurate ab initio potential energy surface, thermochemistry, and dynamics of the Br(2P, 2P(3∕2)) + CH4 → HBr + CH3 reactionGábor CzakóThe Journal of Chemical Physics|April 12, 2013
Vibrations of the low energy states of toluene (X̃ (1)A1 and à (1)B2) and the toluene cation (X̃ (2)B1)Adrian M Gardner, Alistair M Green, Victor M Tamé-Reyes, et al.The Journal of Chemical Physics|April 12, 2013
An analysis of the explosion limits of hydrogen-oxygen mixturesXianming Wang, Chung K LawThe Journal of Chemical Physics|April 12, 2013
An (e, 2e + ion) investigation of dissociative ionization of methaneShenyue Xu, Xinwen Ma, Xueguang Ren, et al.The Journal of Chemical Physics|April 12, 2013
Mapping the phase diagram for neon to a quantum Lennard-Jones fluid using Gibbs ensemble simulationsIonuţ Georgescu, Sandra E Brown, Vladimir A MandelshtamThe Journal of Chemical Physics|April 12, 2013
Extension of the Test-Area methodology for calculating solid-fluid interfacial tensions in cylindrical geometryFelipe J Blas, Bruno MendiboureThe Journal of Chemical Physics|March 15, 2013
Applicability of the wide-band limit in DFT-based molecular transport calculationsC J O Verzijl, J S Seldenthuis, J M ThijssenThe Journal of Chemical Physics|March 15, 2013
Spin filtering in molecular junction: magnetoresistance evaluation from wave-function calculationsMartin Vérot, Serguei A Borshch, Vincent RobertThe Journal of Chemical Physics|March 15, 2013
A general nuclear motion Hamiltonian and non-internal curvilinear coordinatesD Strobusch, Ch ScheurerPageof 5,313