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The Journal of Physical Chemistry. A|October 6, 2016
Ab initio Molecular Dynamics Study of H2 Formation inside POSS Compounds. 2. The Effect of an Encapsulated Hydrogen MoleculeTakako Kudo, Tetsuya Taketsugu, Mark S GordonThe Journal of Physical Chemistry. A|October 30, 2012
Theoretical study of the binding of silane (SiH4) with borane (BH3), diborane (B2H6), and boron trichloride (BCl3): the role of core-electron correlationPeng Xu, Mark S Gordon, Binh NguyenThe Journal of Chemical Physics|November 13, 2007
Breaking bonds with the left eigenstate completely renormalized coupled-cluster methodYingbin Ge, Mark S Gordon, Piotr PiecuchThe Journal of Physical Chemistry. A|September 18, 2020
Stability and Dissociation of Ethylenedione (OCCO)Joani Mato, David Poole, Mark S GordonThe Journal of Physical Chemistry. A|November 10, 2017
Dispersion Interactions in QM/EFPLyudmila V Slipchenko, Mark S Gordon, Klaus RuedenbergThe Journal of Physical Chemistry. A|May 15, 2008
Modeling pi-pi interactions with the effective fragment potential method: the benzene dimer and substituentsToni Smith, Lyudmila V Slipchenko, Mark S GordonThe Journal of Physical Chemistry. A|November 20, 2012
Anharmonicity of weakly bound Li(+)-(H2)n (n = 1-3) complexesNuwan De Silva, Bosiljka Njegic, Mark S GordonThe Journal of Physical Chemistry. A|October 18, 2011
Implementation of dynamical nucleation theory effective fragment potentials method for modeling aerosol chemistryAjitha Devarajan, Theresa L Windus, Mark S GordonThe Journal of Chemical Physics|March 20, 2012
Benchmarking the performance of time-dependent density functional methodsSarom S Leang, Federico Zahariev, Mark S GordonPageof 25