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Michael Gaus

Showing results (11-20 of 15) with videos related to

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The Journal of Physical Chemistry. B|December 2, 2015
Copper Oxidation/Reduction in Water and Protein: Studies with DFTB3/MM and VALBOND Molecular Dynamics SimulationsHaiyun Jin, Puja Goyal, Akshaya Kumar Das, et al.
The Journal of Physical Chemistry. A|April 15, 2011
Effect of nitrogen adsorption on the mid-infrared spectrum of water clustersWaldemar Hujo, Michael Gaus, Markus Schultze, et al.
Journal of the American Chemical Society|July 19, 2011
Proton storage site in bacteriorhodopsin: new insights from quantum mechanics/molecular mechanics simulations of microscopic pK(a) and infrared spectraPuja Goyal, Nilanjan Ghosh, Prasad Phatak, et al.
Journal of Chemical Theory and Computation|November 20, 2015
Parametrization of the SCC-DFTB Method for HalogensTomáš Kubař, Zoltán Bodrog, Michael Gaus, et al.
Journal of Chemical Theory and Computation|November 18, 2015
DFTB3 Parametrization for Copper: The Importance of Orbital Angular Momentum Dependence of Hubbard ParametersMichael Gaus, Haiyun Jin, Darren Demapan, et al.
Pageof 2

Showing results (11-20 of 15) with videos related to

Sort By:
Pageof 2
You have reached the last page of results.This site can display upto 15 results.
The Journal of Physical Chemistry. B|December 2, 2015
Copper Oxidation/Reduction in Water and Protein: Studies with DFTB3/MM and VALBOND Molecular Dynamics SimulationsHaiyun Jin, Puja Goyal, Akshaya Kumar Das, et al.
The Journal of Physical Chemistry. A|April 15, 2011
Effect of nitrogen adsorption on the mid-infrared spectrum of water clustersWaldemar Hujo, Michael Gaus, Markus Schultze, et al.
Journal of the American Chemical Society|July 19, 2011
Proton storage site in bacteriorhodopsin: new insights from quantum mechanics/molecular mechanics simulations of microscopic pK(a) and infrared spectraPuja Goyal, Nilanjan Ghosh, Prasad Phatak, et al.
Journal of Chemical Theory and Computation|November 20, 2015
Parametrization of the SCC-DFTB Method for HalogensTomáš Kubař, Zoltán Bodrog, Michael Gaus, et al.
Journal of Chemical Theory and Computation|November 18, 2015
DFTB3 Parametrization for Copper: The Importance of Orbital Angular Momentum Dependence of Hubbard ParametersMichael Gaus, Haiyun Jin, Darren Demapan, et al.
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