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The Journal of Physical Chemistry. A|May 8, 2010
ORMAS-SCF study of silicon (100) surface clustersLuke Roskop, Mark S GordonThe Journal of Chemical Physics|August 3, 2011
Quasi-degenerate second-order perturbation theory for occupation restricted multiple active space self-consistent field reference functionsLuke Roskop, Mark S GordonPhysical Chemistry Chemical Physics : PCCP|April 28, 2007
Gas phase kinetic and quantum chemical studies of the reactions of silylene with the methylsilanes. Absolute rate constants, temperature dependences, RRKM modelling and potential energy surfacesRosa Becerra, Ian W Carpenter, Mark S Gordon, et al.Journal of the American Chemical Society|October 23, 2010
A paradigm for blue- or red-shifted absorption of small molecules depending on the site of π-extensionKenneth Hanson, Luke Roskop, Peter I Djurovich, et al.Dalton Transactions (Cambridge, England : 2003)|June 9, 2012
Photophysical and electrochemical properties of 1,3-bis(2-pyridylimino)isoindolate platinum(II) derivativesKenneth Hanson, Luke Roskop, Niral Patel, et al.Journal of the American Chemical Society|September 18, 2009
Intramolecular amide stacking and its competition with hydrogen bonding in a small foldamerWilliam H James, Christian W Müller, Evan G Buchanan, et al.Journal of Chemical Theory and Computation|October 26, 2021
Electronic Structure Theory Calculations Using Modern Architectures: KNL vs HaswellTaylor Harville, Mark S GordonThe Journal of Physical Chemistry. A|August 25, 2006
Methanol-water mixtures: a microsolvation study using the effective fragment potential methodIvana Adamovic, Mark S GordonThe Journal of Chemical Physics|December 3, 2008
Reaction mechanism of the direct gas phase synthesis of H(2)O(2) catalyzed by Au(3)Bosiljka Njegic, Mark S GordonThe Journal of Chemical Physics|December 3, 2008
Predicting accurate vibrational frequencies for highly anharmonic systemsBosiljka Njegic, Mark S GordonPageof 25