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Richard A Friesner

Showing results (11-20 of 182) with videos related to

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The Journal of Physical Chemistry. B|June 18, 2011
Systematic investigation of the catalytic cycle of a single site ruthenium oxygen evolving complex using density functional theoryThomas F Hughes, Richard A Friesner
The Journal of Chemical Physics|January 22, 2008
The densities produced by the density functional theory: comparison to full configuration interactionArteum D Bochevarov, Richard A Friesner
Journal of Chemical Theory and Computation|November 25, 2015
Development of Accurate DFT Methods for Computing Redox Potentials of Transition Metal Complexes: Results for Model Complexes and Application to Cytochrome P450Thomas F Hughes, Richard A Friesner
Journal of Chemical Theory and Computation|November 26, 2015
Correcting Systematic Errors in DFT Spin-Splitting Energetics for Transition Metal ComplexesThomas F Hughes, Richard A Friesner
The Journal of Physical Chemistry. B|September 22, 2006
Localized orbital corrections for the calculation of ionization potentials and electron affinities in density functional theoryEric H Knoll, Richard A Friesner
Methods in Enzymology|February 5, 2013
The protein local optimization program and G-protein-coupled receptors: loop restoration and applications to homology modelingDahlia A Goldfeld, Richard A Friesner
Journal of the American Chemical Society|December 11, 2003
Electronic structure of 1 to 2 nm diameter silicon core/shell nanocrystals: surface chemistry, optical spectra, charge transfer, and dopingZhiyong Zhou, Richard A Friesner, Louis Brus
Faraday Discussions|November 4, 2010
Hydrophobic interactions in model enclosures from small to large length scales: non-additivity in explicit and implicit solvent modelsLingle Wang, Richard A Friesner, B J Berne
The Journal of Physical Chemistry. B|May 7, 2010
Competition of electrostatic and hydrophobic interactions between small hydrophobes and model enclosuresLingle Wang, Richard A Friesner, B J Berne
Journal of Chemical Theory and Computation|December 5, 2015
Improved Methods for Side Chain and Loop Predictions via the Protein Local Optimization Program:  Variable Dielectric Model for Implicitly Improving the Treatment of Polarization EffectsKai Zhu, Michael R Shirts, Richard A Friesner
Pageof 19

Showing results (11-20 of 182) with videos related to

Sort By:
Pageof 19
The Journal of Physical Chemistry. B|June 18, 2011
Systematic investigation of the catalytic cycle of a single site ruthenium oxygen evolving complex using density functional theoryThomas F Hughes, Richard A Friesner
The Journal of Chemical Physics|January 22, 2008
The densities produced by the density functional theory: comparison to full configuration interactionArteum D Bochevarov, Richard A Friesner
Journal of Chemical Theory and Computation|November 25, 2015
Development of Accurate DFT Methods for Computing Redox Potentials of Transition Metal Complexes: Results for Model Complexes and Application to Cytochrome P450Thomas F Hughes, Richard A Friesner
Journal of Chemical Theory and Computation|November 26, 2015
Correcting Systematic Errors in DFT Spin-Splitting Energetics for Transition Metal ComplexesThomas F Hughes, Richard A Friesner
The Journal of Physical Chemistry. B|September 22, 2006
Localized orbital corrections for the calculation of ionization potentials and electron affinities in density functional theoryEric H Knoll, Richard A Friesner
Methods in Enzymology|February 5, 2013
The protein local optimization program and G-protein-coupled receptors: loop restoration and applications to homology modelingDahlia A Goldfeld, Richard A Friesner
Journal of the American Chemical Society|December 11, 2003
Electronic structure of 1 to 2 nm diameter silicon core/shell nanocrystals: surface chemistry, optical spectra, charge transfer, and dopingZhiyong Zhou, Richard A Friesner, Louis Brus
Faraday Discussions|November 4, 2010
Hydrophobic interactions in model enclosures from small to large length scales: non-additivity in explicit and implicit solvent modelsLingle Wang, Richard A Friesner, B J Berne
The Journal of Physical Chemistry. B|May 7, 2010
Competition of electrostatic and hydrophobic interactions between small hydrophobes and model enclosuresLingle Wang, Richard A Friesner, B J Berne
Journal of Chemical Theory and Computation|December 5, 2015
Improved Methods for Side Chain and Loop Predictions via the Protein Local Optimization Program:  Variable Dielectric Model for Implicitly Improving the Treatment of Polarization EffectsKai Zhu, Michael R Shirts, Richard A Friesner
Pageof 19