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The Journal of Physical Chemistry. B|July 26, 2006
Comparative study of surface cycloadditions of ethylene and 2-butene on the Si(100)-2 x 1 surfaceHee Soon Lee, Cheol Ho Choi, Mark S Gordon
Journal of the American Chemical Society|November 5, 2025
Atoms and Bonds as Synergisms of Interacting Electrons and Nuclei. The Origin of Chemical Bonds in Polyatomic MoleculesDaniel Del Angel Cruz, Mark S Gordon, Klaus Ruedenberg
Journal of Chemical Theory and Computation|April 4, 2022
A Task-Based Approach to Parallel Restricted Hartree-Fock CalculationsDavid Poole, Jorge L Galvez Vallejo, Mark S Gordon
Journal of the American Chemical Society|May 23, 2002
Structure and thermodynamics of carbon and carbon/silicon precursors to nanostructuresVassiliki-Alexandra Glezakou, Jerry A Boatz, Mark S Gordon
The Journal of Physical Chemistry. A|September 1, 2011
Effective fragment potential study of the interaction of DNA basesQuentin A Smith, Mark S Gordon, Lyudmila V Slipchenko
The Journal of Physical Chemistry. B|June 15, 2006
Electronic structure studies of tetrazolium-based ionic liquidsDeborah D Zorn, Jerry A Boatz, Mark S Gordon
The Journal of Physical Chemistry. A|June 14, 2013
Solvent induced shifts in the UV spectrum of amidesNuwan De Silva, Soohaeng Y Willow, Mark S Gordon
Journal of Computational Chemistry|October 29, 2018
Application of a semi-empirical dispersion correction for modeling water clustersNuwan De Silva, Matthew A Adreance, Mark S Gordon
The Journal of Physical Chemistry. A|April 25, 2012
Geometry optimizations of open-shell systems with the fragment molecular orbital methodSpencer R Pruitt, Dmitri G Fedorov, Mark S Gordon
The Journal of Physical Chemistry. A|April 21, 2011
Benzene-pyridine interactions predicted by the effective fragment potential methodQuentin A Smith, Mark S Gordon, Lyudmila V Slipchenko
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