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Bernhard R Randolf

Showing results (1-10 of 43) with videos related to

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Journal of Chemical Theory and Computation|November 24, 2015
Combining a Dissociative Water Model with a Hybrid QM/MM Approach-A Simulation Strategy for the Study of Proton Transfer Reactions in SolutionThomas S Hofer, Manuel Hitzenberger, Bernhard R Randolf
The Journal of Chemical Physics|May 25, 2005
Structure and ultrafast dynamics of liquid water: a quantum mechanics/molecular mechanics molecular dynamics simulations studyDemetrios Xenides, Bernhard R Randolf, Bernd M Rode
Physical Chemistry Chemical Physics : PCCP|October 1, 2009
Influence of polarization and many body quantum effects on the solvation shell of Al(III) in dilute aqueous solution--extended ab initio QM/MM MD simulationsThomas S Hofer, Bernhard R Randolf, Bernd M Rode
The Journal of Physical Chemistry. B|October 13, 2006
Sr(II) in water: A labile hydrate with a highly mobile structureThomas S Hofer, Bernhard R Randolf, Bernd M Rode
Journal of Computational Chemistry|April 29, 2005
Structure-breaking effects of solvated Rb(I) in dilute aqueous solution--an ab initio QM/MM MD approachThomas S Hofer, Bernhard R Randolf, Bernd M Rode
The Journal of Physical Chemistry. B|August 30, 2008
Al(III) hydration revisited. An ab initio quantum mechanical charge field molecular dynamics studyThomas S Hofer, Bernhard R Randolf, Bernd M Rode
Dalton Transactions (Cambridge, England : 2003)|May 8, 2009
The hydrated platinum(ii) ion in aqueous solution--a combined theoretical and EXAFS spectroscopic studyThomas S Hofer, Bernhard R Randolf, Bernd M Rode, et al.
Physical Chemistry Chemical Physics : PCCP|June 16, 2006
Be(II) in aqueous solution--an extended ab initio QM/MM MD studyAlessandro D'Incal, Thomas S Hofer, Bernhard R Randolf, et al.
Journal of Computational Chemistry|February 3, 2007
Tl(I)-the strongest structure-breaking metal ion in water? A quantum mechanical/molecular mechanical simulation studyViwat Vchirawongkwin, Thomas S Hofer, Bernhard R Randolf, et al.
Journal of Computational Chemistry|February 7, 2007
Quantum mechanical/molecular mechanical simulations of the Tl(III) ion in waterViwat Vchirawongkwin, Thomas S Hofer, Bernhard R Randolf, et al.
Pageof 5

Showing results (1-10 of 43) with videos related to

Sort By:
Pageof 5
Journal of Chemical Theory and Computation|November 24, 2015
Combining a Dissociative Water Model with a Hybrid QM/MM Approach-A Simulation Strategy for the Study of Proton Transfer Reactions in SolutionThomas S Hofer, Manuel Hitzenberger, Bernhard R Randolf
The Journal of Chemical Physics|May 25, 2005
Structure and ultrafast dynamics of liquid water: a quantum mechanics/molecular mechanics molecular dynamics simulations studyDemetrios Xenides, Bernhard R Randolf, Bernd M Rode
Physical Chemistry Chemical Physics : PCCP|October 1, 2009
Influence of polarization and many body quantum effects on the solvation shell of Al(III) in dilute aqueous solution--extended ab initio QM/MM MD simulationsThomas S Hofer, Bernhard R Randolf, Bernd M Rode
The Journal of Physical Chemistry. B|October 13, 2006
Sr(II) in water: A labile hydrate with a highly mobile structureThomas S Hofer, Bernhard R Randolf, Bernd M Rode
Journal of Computational Chemistry|April 29, 2005
Structure-breaking effects of solvated Rb(I) in dilute aqueous solution--an ab initio QM/MM MD approachThomas S Hofer, Bernhard R Randolf, Bernd M Rode
The Journal of Physical Chemistry. B|August 30, 2008
Al(III) hydration revisited. An ab initio quantum mechanical charge field molecular dynamics studyThomas S Hofer, Bernhard R Randolf, Bernd M Rode
Dalton Transactions (Cambridge, England : 2003)|May 8, 2009
The hydrated platinum(ii) ion in aqueous solution--a combined theoretical and EXAFS spectroscopic studyThomas S Hofer, Bernhard R Randolf, Bernd M Rode, et al.
Physical Chemistry Chemical Physics : PCCP|June 16, 2006
Be(II) in aqueous solution--an extended ab initio QM/MM MD studyAlessandro D'Incal, Thomas S Hofer, Bernhard R Randolf, et al.
Journal of Computational Chemistry|February 3, 2007
Tl(I)-the strongest structure-breaking metal ion in water? A quantum mechanical/molecular mechanical simulation studyViwat Vchirawongkwin, Thomas S Hofer, Bernhard R Randolf, et al.
Journal of Computational Chemistry|February 7, 2007
Quantum mechanical/molecular mechanical simulations of the Tl(III) ion in waterViwat Vchirawongkwin, Thomas S Hofer, Bernhard R Randolf, et al.
Pageof 5