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Marcus Elstner

Showing results (51-60 of 158) with videos related to

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Journal of Chemical Theory and Computation|November 18, 2015
Multi-Scale Approach to Non-Adiabatic Charge Transport in High-Mobility Organic SemiconductorsAlexander Heck, Julian J Kranz, Tomáš Kubař, et al.
Proceedings of the National Academy of Sciences of the United States of America|September 25, 2021
O to bR transition in bacteriorhodopsin occurs through a proton hole mechanismDenis Maag, Thilo Mast, Marcus Elstner, et al.
The Journal of Physical Chemistry. A|October 5, 2007
Extension of the self-consistent-charge density-functional tight-binding method: third-order expansion of the density functional theory total energy and introduction of a modified effective coulomb interactionYang Yang, Haibo Yu, Darrin York, et al.
Biochemistry|December 18, 2002
11-cis-retinal protonated Schiff base: influence of the protein environment on the geometry of the rhodopsin chromophoreMinoru Sugihara, Volker Buss, Peter Entel, et al.
Physical Chemistry Chemical Physics : PCCP|May 29, 2019
What accounts for the different functions in photolyases and cryptochromes: a computational study of proton transfers to FADDaniel Holub, Tomáš Kubař, Thilo Mast, et al.
The Journal of Physical Chemistry. B|August 30, 2008
Effect of polarization on the opsin shift in rhodopsins. 2. Empirical polarization models for proteinsMarius Wanko, Michael Hoffmann, Jan Frähmcke, et al.
Journal of Chemical Theory and Computation|September 28, 2011
Description of phosphate hydrolysis reactions with the Self-Consistent-Charge Density-Functional-Tight-Binding (SCC-DFTB) theory. 1. ParameterizationYang Yang, Haibo Yu, Darrin York, et al.
Physical Chemistry Chemical Physics : PCCP|June 28, 2024
Theory for nonlinear conductivity switching in semiconducting organic ferroelectricsTill Johann, Weiwei Xie, Sara Roosta, et al.
The Journal of Physical Chemistry. A|May 4, 2007
Simulating water with the self-consistent-charge density functional tight binding method: from molecular clusters to the liquid stateHao Hu, Zhenyu Lu, Marcus Elstner, et al.
Journal of Chemical Theory and Computation|February 19, 2016
Parameterization of the DFTB3 method for Br, Ca, Cl, F, I, K, and Na in organic and biological systemsMaximilian Kubillus, Tomáš Kubař, Michael Gaus, et al.
Pageof 16

Showing results (51-60 of 158) with videos related to

Sort By:
Pageof 16
Journal of Chemical Theory and Computation|November 18, 2015
Multi-Scale Approach to Non-Adiabatic Charge Transport in High-Mobility Organic SemiconductorsAlexander Heck, Julian J Kranz, Tomáš Kubař, et al.
Proceedings of the National Academy of Sciences of the United States of America|September 25, 2021
O to bR transition in bacteriorhodopsin occurs through a proton hole mechanismDenis Maag, Thilo Mast, Marcus Elstner, et al.
The Journal of Physical Chemistry. A|October 5, 2007
Extension of the self-consistent-charge density-functional tight-binding method: third-order expansion of the density functional theory total energy and introduction of a modified effective coulomb interactionYang Yang, Haibo Yu, Darrin York, et al.
Biochemistry|December 18, 2002
11-cis-retinal protonated Schiff base: influence of the protein environment on the geometry of the rhodopsin chromophoreMinoru Sugihara, Volker Buss, Peter Entel, et al.
Physical Chemistry Chemical Physics : PCCP|May 29, 2019
What accounts for the different functions in photolyases and cryptochromes: a computational study of proton transfers to FADDaniel Holub, Tomáš Kubař, Thilo Mast, et al.
The Journal of Physical Chemistry. B|August 30, 2008
Effect of polarization on the opsin shift in rhodopsins. 2. Empirical polarization models for proteinsMarius Wanko, Michael Hoffmann, Jan Frähmcke, et al.
Journal of Chemical Theory and Computation|September 28, 2011
Description of phosphate hydrolysis reactions with the Self-Consistent-Charge Density-Functional-Tight-Binding (SCC-DFTB) theory. 1. ParameterizationYang Yang, Haibo Yu, Darrin York, et al.
Physical Chemistry Chemical Physics : PCCP|June 28, 2024
Theory for nonlinear conductivity switching in semiconducting organic ferroelectricsTill Johann, Weiwei Xie, Sara Roosta, et al.
The Journal of Physical Chemistry. A|May 4, 2007
Simulating water with the self-consistent-charge density functional tight binding method: from molecular clusters to the liquid stateHao Hu, Zhenyu Lu, Marcus Elstner, et al.
Journal of Chemical Theory and Computation|February 19, 2016
Parameterization of the DFTB3 method for Br, Ca, Cl, F, I, K, and Na in organic and biological systemsMaximilian Kubillus, Tomáš Kubař, Michael Gaus, et al.
Pageof 16