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Biochemistry|August 25, 2004
First-principles calculations of protein circular dichroism in the near ultravioletDavid M Rogers, Jonathan D HirstChirality|March 23, 2004
Calculations of protein circular dichroism from first principlesDavid M Rogers, Jonathan D HirstThe Journal of Chemical Physics|December 3, 2008
Modeling molecular and ionic absolute solvation free energies with quasichemical theory boundsDavid M Rogers, Thomas L BeckThe Journal of Physical Chemistry. B|May 15, 2019
Hydration and Dispersion Forces in Hydroxypropylcellulose Phase BehaviorGuy W Dayhoff, David M RogersThe Journal of Chemical Physics|January 19, 2010
Polarization and charge transfer in the hydration of chloride ionsZhen Zhao, David M Rogers, Thomas L BeckThe Journal of Physical Chemistry. B|July 22, 2024
An Improved Diabatization Scheme for Computing the Electronic Circular Dichroism of ProteinsDavid M Rogers, Hainam Do, Jonathan D HirstJournal of Chemical Theory and Computation|November 18, 2015
Dispersion- and Exchange-Corrected Density Functional Theory for Sodium Ion HydrationMarielle Soniat, David M Rogers, Susan B RempeThe Journal of Chemical Physics|October 24, 2014
A combined resonance enhanced multiphoton ionization and ab initio study of the first absorption band of 1,2,4,5-tetrafluorobenzene, pentafluorobenzene, and hexafluorobenzeneTrevor Ridley, David M Rogers, Kenneth P LawleyJournal of Statistical Physics|September 12, 2012
An Information Theory Approach to Nonlinear, Nonequilibrium ThermodynamicsDavid M Rogers, Thomas L Beck, Susan B RempeProteins|May 24, 2008
Very fast prediction and rationalization of pKa values for protein-ligand complexesDelphine C Bas, David M Rogers, Jan H JensenPageof 6