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Valéry Weber

Showing results (1-10 of 23) with videos related to

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Journal of Chemical Theory and Computation|November 26, 2015
Regularizing Binding Energy Distributions and the Hydration Free Energy of Protein Cytochrome C from All-Atom SimulationsValéry Weber, D Asthagiri
The Journal of Chemical Physics|February 20, 2008
A smooth script-l1-norm sparseness function for orbital based linear scaling total energy minimizationValéry Weber, Jürg Hutter
The Journal of Chemical Physics|September 27, 2006
Parallel algorithm for the computation of the Hartree-Fock exchange matrix: gas phase and periodic parallel ONXValéry Weber, Matt Challacombe
The Journal of Chemical Physics|October 19, 2010
Communication: Thermodynamics of water modeled using ab initio simulationsValéry Weber, D Asthagiri
The Journal of Chemical Physics|August 21, 2007
Linear scaling density matrix perturbation theory for basis-set-dependent quantum response calculations: an orthogonal formulationAnders M N Niklasson, Valéry Weber
The Journal of Organic Chemistry|July 4, 2003
One-pot rhodium(i)-catalyzed hydroboration of alkenes: radical conjugate additionPhilippe Renaud, Cyril Ollivier, Valéry Weber
The Journal of Chemical Physics|November 18, 2011
Communication: regularizing binding energy distributions and thermodynamics of hydration: theory and application to water modeled with classical and ab initio simulationsValéry Weber, Safir Merchant, D Asthagiri
The Journal of Chemical Physics|June 16, 2006
Exchange energy gradients with respect to atomic positions and cell parameters within the Hartree-Fock Gamma-point approximationValéry Weber, Claude Daul, Matt Challacombe
The Journal of Chemical Physics|June 21, 2006
Energy gradients with respect to atomic positions and cell parameters for the Kohn-Sham density-functional theory at the Gamma pointValéry Weber, Christopher J Tymczak, Matt Challacombe
Biophysical Journal|September 20, 2013
Solvation free energy of the peptide group: its model dependence and implications for the additive-transfer free-energy model of protein stabilityDheeraj S Tomar, D Asthagiri, Valéry Weber
Pageof 3

Showing results (1-10 of 23) with videos related to

Sort By:
Pageof 3
Journal of Chemical Theory and Computation|November 26, 2015
Regularizing Binding Energy Distributions and the Hydration Free Energy of Protein Cytochrome C from All-Atom SimulationsValéry Weber, D Asthagiri
The Journal of Chemical Physics|February 20, 2008
A smooth script-l1-norm sparseness function for orbital based linear scaling total energy minimizationValéry Weber, Jürg Hutter
The Journal of Chemical Physics|September 27, 2006
Parallel algorithm for the computation of the Hartree-Fock exchange matrix: gas phase and periodic parallel ONXValéry Weber, Matt Challacombe
The Journal of Chemical Physics|October 19, 2010
Communication: Thermodynamics of water modeled using ab initio simulationsValéry Weber, D Asthagiri
The Journal of Chemical Physics|August 21, 2007
Linear scaling density matrix perturbation theory for basis-set-dependent quantum response calculations: an orthogonal formulationAnders M N Niklasson, Valéry Weber
The Journal of Organic Chemistry|July 4, 2003
One-pot rhodium(i)-catalyzed hydroboration of alkenes: radical conjugate additionPhilippe Renaud, Cyril Ollivier, Valéry Weber
The Journal of Chemical Physics|November 18, 2011
Communication: regularizing binding energy distributions and thermodynamics of hydration: theory and application to water modeled with classical and ab initio simulationsValéry Weber, Safir Merchant, D Asthagiri
The Journal of Chemical Physics|June 16, 2006
Exchange energy gradients with respect to atomic positions and cell parameters within the Hartree-Fock Gamma-point approximationValéry Weber, Claude Daul, Matt Challacombe
The Journal of Chemical Physics|June 21, 2006
Energy gradients with respect to atomic positions and cell parameters for the Kohn-Sham density-functional theory at the Gamma pointValéry Weber, Christopher J Tymczak, Matt Challacombe
Biophysical Journal|September 20, 2013
Solvation free energy of the peptide group: its model dependence and implications for the additive-transfer free-energy model of protein stabilityDheeraj S Tomar, D Asthagiri, Valéry Weber
Pageof 3