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Physical Chemistry Chemical Physics : PCCP
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September 8, 2010
Hydrolysis of tetravalent group IV metal ions: an ab initio simulation study
Len Herald V Lim, Anirban Bhattacharjee, Bernhard R Randolf, et al.
Journal of Computational Chemistry
|
May 14, 2008
Structure and dynamics of phosphate ion in aqueous solution: an ab initio QMCF MD study
Andreas B Pribil, Thomas S Hofer, Bernhard R Randolf, et al.
Journal of Computational Chemistry
|
December 4, 2003
Characterization of dynamics and reactivities of solvated ions by ab initio simulations
Thomas S Hofer, Hung T Tran, Christian F Schwenk, et al.
The Journal of Physical Chemistry. B
|
May 2, 2008
Exploring structure and dynamics of the diaquotriamminezinc(II) complex by QM/MM MD simulation
M Qaiser Fatmi, Thomas S Hofer, Bernhard R Randolf, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 25, 2010
Structure and dynamics of the Zr(4+) ion in water
Christoph B Messner, Thomas S Hofer, Bernhard R Randolf, et al.
The Journal of Physical Chemistry. A
|
February 11, 2009
Hydration of sodium(I) and potassium(I) revisited: a comparative QM/MM and QMCF MD simulation study of weakly hydrated ions
S Sikander Azam, Thomas S Hofer, Bernhard R Randolf, et al.
The Journal of Chemical Physics
|
August 20, 2005
An extended ab initio QM/MM MD approach to structure and dynamics of Zn(II) in aqueous solution
M Qaiser Fatmi, Thomas S Hofer, Bernhard R Randolf, et al.
Journal of the American Chemical Society
|
October 13, 2005
Structure and dynamics of solvated Sn(II) in aqueous solution: an ab initio QM/MM MD approach
Thomas S Hofer, Andreas B Pribil, Bernhard R Randolf, et al.
Journal of Computational Chemistry
|
October 16, 2010
Structure and dynamics of methanol in water: a quantum mechanical charge field molecular dynamics study
Syed Tarique Moin, Thomas S Hofer, Bernhard R Randolf, et al.
The Journal of Physical Chemistry. B
|
February 14, 2006
Temperature effects on the structural and dynamical properties of the Zn(II)-water complex in aqueous solution: a QM/MM molecular dynamics study
M Qaiser Fatmi, Thomas S Hofer, Bernhard R Randolf, et al.
Page
of 10
Search research articles
Search
Showing results (51-60 of 98) with videos related to
Sort By:
Page
of 10
Physical Chemistry Chemical Physics : PCCP
|
September 8, 2010
Hydrolysis of tetravalent group IV metal ions: an ab initio simulation study
Len Herald V Lim, Anirban Bhattacharjee, Bernhard R Randolf, et al.
Journal of Computational Chemistry
|
May 14, 2008
Structure and dynamics of phosphate ion in aqueous solution: an ab initio QMCF MD study
Andreas B Pribil, Thomas S Hofer, Bernhard R Randolf, et al.
Journal of Computational Chemistry
|
December 4, 2003
Characterization of dynamics and reactivities of solvated ions by ab initio simulations
Thomas S Hofer, Hung T Tran, Christian F Schwenk, et al.
The Journal of Physical Chemistry. B
|
May 2, 2008
Exploring structure and dynamics of the diaquotriamminezinc(II) complex by QM/MM MD simulation
M Qaiser Fatmi, Thomas S Hofer, Bernhard R Randolf, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 25, 2010
Structure and dynamics of the Zr(4+) ion in water
Christoph B Messner, Thomas S Hofer, Bernhard R Randolf, et al.
The Journal of Physical Chemistry. A
|
February 11, 2009
Hydration of sodium(I) and potassium(I) revisited: a comparative QM/MM and QMCF MD simulation study of weakly hydrated ions
S Sikander Azam, Thomas S Hofer, Bernhard R Randolf, et al.
The Journal of Chemical Physics
|
August 20, 2005
An extended ab initio QM/MM MD approach to structure and dynamics of Zn(II) in aqueous solution
M Qaiser Fatmi, Thomas S Hofer, Bernhard R Randolf, et al.
Journal of the American Chemical Society
|
October 13, 2005
Structure and dynamics of solvated Sn(II) in aqueous solution: an ab initio QM/MM MD approach
Thomas S Hofer, Andreas B Pribil, Bernhard R Randolf, et al.
Journal of Computational Chemistry
|
October 16, 2010
Structure and dynamics of methanol in water: a quantum mechanical charge field molecular dynamics study
Syed Tarique Moin, Thomas S Hofer, Bernhard R Randolf, et al.
The Journal of Physical Chemistry. B
|
February 14, 2006
Temperature effects on the structural and dynamical properties of the Zn(II)-water complex in aqueous solution: a QM/MM molecular dynamics study
M Qaiser Fatmi, Thomas S Hofer, Bernhard R Randolf, et al.
Page
of 10