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Bernd M Rode

Showing results (71-80 of 98) with videos related to

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Chemical Physics Letters|April 9, 2013
Hydration of trivalent lanthanum revisited - An <i>ab initio</i> QMCF-MD approachOliver M D Lutz, Thomas S Hofer, Bernhard R Randolf, et al.
The Journal of Physical Chemistry. B|March 4, 2009
The hydration structure of Sn(II): an ab initio quantum mechanical charge field molecular dynamics studyLen Herald V Lim, Thomas S Hofer, Andreas B Pribil, et al.
Dalton Transactions (Cambridge, England : 2003)|March 15, 2012
On the structure and dynamics of the hydrated sulfite ion in aqueous solution--an ab initio QMCF MD simulation and large angle X-ray scattering studyLars Eklund, Thomas S Hofer, Andreas B Pribil, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|May 21, 2014
The impact of highly correlated potential energy surfaces on the anharmonically corrected IR spectrum of acetonitrileOliver M D Lutz, Bernd M Rode, Günther K Bonn, et al.
Physical Chemistry Chemical Physics : PCCP|April 17, 2010
Hydrolytic conversion of AsO(-3)4 to HAsO(-2)4: a QMCF MD studyAnirban Bhattacharjee, Thomas S Hofer, Andreas B Pribil, et al.
Journal of Medicinal Chemistry|October 31, 2003
Molecular docking studies of natural cholinesterase-inhibiting steroidal alkaloids from Sarcococca salignaZaheer-Ul-Haq Zaheer-Ul-Haq, Bernd Wellenzohn, Klaus R Liedl, et al.
Bioorganic & Medicinal Chemistry Letters|December 4, 2003
3D-QSAR studies on natural acetylcholinesterase inhibitors of Sarcococca saligna by comparative molecular field analysis (CoMFA)Zaheer-ul-Haq, Bernd Wellenzohn, Somsak Tonmunphean, et al.
The Journal of Physical Chemistry. A|July 18, 2009
Structure and dynamics of the UO(2)(2+) ion in aqueous solution: an ab initio QMCF MD studyRobert J Frick, Thomas S Hofer, Andreas B Pribil, et al.
Physical Chemistry Chemical Physics : PCCP|August 19, 2010
Structure and dynamics of the UO2+ ion in aqueous solution: an ab initio QMCF-MD studyRobert J Frick, Thomas S Hofer, Andreas B Pribil, et al.
Inorganic Chemistry|May 6, 2010
A quantum mechanical charge field molecular dynamics study of Fe(2+) and Fe(3+) ions in aqueous solutionsSyed Tarique Moin, Thomas S Hofer, Andreas B Pribil, et al.
Pageof 10

Showing results (71-80 of 98) with videos related to

Sort By:
Pageof 10
Chemical Physics Letters|April 9, 2013
Hydration of trivalent lanthanum revisited - An <i>ab initio</i> QMCF-MD approachOliver M D Lutz, Thomas S Hofer, Bernhard R Randolf, et al.
The Journal of Physical Chemistry. B|March 4, 2009
The hydration structure of Sn(II): an ab initio quantum mechanical charge field molecular dynamics studyLen Herald V Lim, Thomas S Hofer, Andreas B Pribil, et al.
Dalton Transactions (Cambridge, England : 2003)|March 15, 2012
On the structure and dynamics of the hydrated sulfite ion in aqueous solution--an ab initio QMCF MD simulation and large angle X-ray scattering studyLars Eklund, Thomas S Hofer, Andreas B Pribil, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|May 21, 2014
The impact of highly correlated potential energy surfaces on the anharmonically corrected IR spectrum of acetonitrileOliver M D Lutz, Bernd M Rode, Günther K Bonn, et al.
Physical Chemistry Chemical Physics : PCCP|April 17, 2010
Hydrolytic conversion of AsO(-3)4 to HAsO(-2)4: a QMCF MD studyAnirban Bhattacharjee, Thomas S Hofer, Andreas B Pribil, et al.
Journal of Medicinal Chemistry|October 31, 2003
Molecular docking studies of natural cholinesterase-inhibiting steroidal alkaloids from Sarcococca salignaZaheer-Ul-Haq Zaheer-Ul-Haq, Bernd Wellenzohn, Klaus R Liedl, et al.
Bioorganic & Medicinal Chemistry Letters|December 4, 2003
3D-QSAR studies on natural acetylcholinesterase inhibitors of Sarcococca saligna by comparative molecular field analysis (CoMFA)Zaheer-ul-Haq, Bernd Wellenzohn, Somsak Tonmunphean, et al.
The Journal of Physical Chemistry. A|July 18, 2009
Structure and dynamics of the UO(2)(2+) ion in aqueous solution: an ab initio QMCF MD studyRobert J Frick, Thomas S Hofer, Andreas B Pribil, et al.
Physical Chemistry Chemical Physics : PCCP|August 19, 2010
Structure and dynamics of the UO2+ ion in aqueous solution: an ab initio QMCF-MD studyRobert J Frick, Thomas S Hofer, Andreas B Pribil, et al.
Inorganic Chemistry|May 6, 2010
A quantum mechanical charge field molecular dynamics study of Fe(2+) and Fe(3+) ions in aqueous solutionsSyed Tarique Moin, Thomas S Hofer, Andreas B Pribil, et al.
Pageof 10