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Physical Chemistry Chemical Physics : PCCP
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June 8, 2011
Hydrogen bond formation of formamide and N-methylformamide in aqueous solution studied by quantum mechanical charge field-molecular dynamics (QMCF-MD)
Alexander K H Weiss, Thomas S Hofer, Bernhard R Randolf, et al.
Journal of Computational Chemistry
|
May 30, 2009
Hydrated germanium (II): irregular structural and dynamical properties revealed by a quantum mechanical charge field molecular dynamics study
S Sikander Azam, Len Herald V Lim, Thomas S Hofer, et al.
Inorganic Chemistry
|
March 23, 2011
Sulfur dioxide in water: structure and dynamics studied by an ab initio quantum mechanical charge field molecular dynamics simulation
Syed Tarique Moin, Len Herald V Lim, Thomas S Hofer, et al.
Journal of Computational Chemistry
|
October 23, 2009
Temperature dependence of structure and dynamics of the hydrated Ca2+ ion according to ab initio quantum mechanical charge field and classical molecular dynamics
Len Herald V Lim, Andreas B Pribil, Andreas E Ellmerer, et al.
Inorganic Chemistry
|
April 3, 2009
Structure and dynamics of the U4+ ion in aqueous solution: an ab initio quantum mechanical charge field molecular dynamics study
Robert J Frick, Andreas B Pribil, Thomas S Hofer, et al.
Inorganic Chemistry
|
June 2, 2012
A QMCF-MD investigation of the structure and dynamics of Ce4+ in aqueous solution
Oliver M D Lutz, Thomas S Hofer, Bernhard R Randolf, et al.
Inorganic Chemistry
|
August 14, 2010
Structure and dynamics of the chromate ion in aqueous solution. An ab initio QMCF-MD simulation
Ernst Hinteregger, Andreas B Pribil, Thomas S Hofer, et al.
Inorganic Chemistry
|
February 4, 2010
Structural and dynamical aspects of the unsymmetric hydration of Sb(III): an ab initio quantum mechanical charge field molecular dynamics simulation
Len Herald V Lim, Anirban Bhattacharjee, S Sikander Asam, et al.
The Journal of Physical Chemistry. B
|
March 3, 2010
Structural and dynamic aspects of hydration of HAsO4(-2): an ab initio QMCF MD simulation
Anirban Bhattacharjee, Andreas B Pribil, Len Herald V Lim, et al.
The Journal of Physical Chemistry. B
|
November 21, 2013
Erbium(III) in aqueous solution: an ab initio molecular dynamics study
Lorenz R Canaval, Theerathad Sakwarathorn, Bernd M Rode, et al.
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Search research articles
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Showing results (81-90 of 98) with videos related to
Sort By:
Page
of 10
Physical Chemistry Chemical Physics : PCCP
|
June 8, 2011
Hydrogen bond formation of formamide and N-methylformamide in aqueous solution studied by quantum mechanical charge field-molecular dynamics (QMCF-MD)
Alexander K H Weiss, Thomas S Hofer, Bernhard R Randolf, et al.
Journal of Computational Chemistry
|
May 30, 2009
Hydrated germanium (II): irregular structural and dynamical properties revealed by a quantum mechanical charge field molecular dynamics study
S Sikander Azam, Len Herald V Lim, Thomas S Hofer, et al.
Inorganic Chemistry
|
March 23, 2011
Sulfur dioxide in water: structure and dynamics studied by an ab initio quantum mechanical charge field molecular dynamics simulation
Syed Tarique Moin, Len Herald V Lim, Thomas S Hofer, et al.
Journal of Computational Chemistry
|
October 23, 2009
Temperature dependence of structure and dynamics of the hydrated Ca2+ ion according to ab initio quantum mechanical charge field and classical molecular dynamics
Len Herald V Lim, Andreas B Pribil, Andreas E Ellmerer, et al.
Inorganic Chemistry
|
April 3, 2009
Structure and dynamics of the U4+ ion in aqueous solution: an ab initio quantum mechanical charge field molecular dynamics study
Robert J Frick, Andreas B Pribil, Thomas S Hofer, et al.
Inorganic Chemistry
|
June 2, 2012
A QMCF-MD investigation of the structure and dynamics of Ce4+ in aqueous solution
Oliver M D Lutz, Thomas S Hofer, Bernhard R Randolf, et al.
Inorganic Chemistry
|
August 14, 2010
Structure and dynamics of the chromate ion in aqueous solution. An ab initio QMCF-MD simulation
Ernst Hinteregger, Andreas B Pribil, Thomas S Hofer, et al.
Inorganic Chemistry
|
February 4, 2010
Structural and dynamical aspects of the unsymmetric hydration of Sb(III): an ab initio quantum mechanical charge field molecular dynamics simulation
Len Herald V Lim, Anirban Bhattacharjee, S Sikander Asam, et al.
The Journal of Physical Chemistry. B
|
March 3, 2010
Structural and dynamic aspects of hydration of HAsO4(-2): an ab initio QMCF MD simulation
Anirban Bhattacharjee, Andreas B Pribil, Len Herald V Lim, et al.
The Journal of Physical Chemistry. B
|
November 21, 2013
Erbium(III) in aqueous solution: an ab initio molecular dynamics study
Lorenz R Canaval, Theerathad Sakwarathorn, Bernd M Rode, et al.
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