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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 Simulations
Haiyun 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 clusters
Waldemar 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 spectra
Puja Goyal, Nilanjan Ghosh, Prasad Phatak, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
Parametrization of the SCC-DFTB Method for Halogens
Tomáš 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 Parameters
Michael Gaus, Haiyun Jin, Darren Demapan, et al.
Page
of 2
Search research articles
Search
Showing results (11-20 of 15) with videos related to
Sort By:
Page
of 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 Simulations
Haiyun 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 clusters
Waldemar 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 spectra
Puja Goyal, Nilanjan Ghosh, Prasad Phatak, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
Parametrization of the SCC-DFTB Method for Halogens
Tomáš 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 Parameters
Michael Gaus, Haiyun Jin, Darren Demapan, et al.
Page
of 2