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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 simulations
Thomas S Hofer, Bernhard R Randolf, Bernd M Rode
Physical Chemistry Chemical Physics : PCCP
|
June 15, 2010
The stability of [Zn(NH(3))(4)](2+) in water: A quantum mechanical/molecular mechanical molecular dynamics study
M Qaiser Fatmi, Thomas S Hofer, 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 approach
Thomas S Hofer, Bernhard R Randolf, Bernd M Rode
Journal of the American Chemical Society
|
February 6, 2003
Structure and dynamics of metal ions in solution: QM/MM molecular dynamics simulations of Mn(2+) and V(2+)
Christian F Schwenk, Hannes H Loeffler, 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 study
Thomas S Hofer, Bernhard R Randolf, Bernd M Rode
Dalton Transactions (Cambridge, England : 2003)
|
August 24, 2012
Characterization of structure and dynamics of an aqueous scandium(III) ion by an extended ab initio QM/MM molecular dynamics simulation
Viwat Vchirawongkwin, Chinapong Kritayakornupong, Anan Tongraar, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 30, 2010
Selective adsorption and chiral amplification of amino acids in vermiculite clay-implications for the origin of biochirality
Donald G Fraser, Daniel Fitz, T Jakschitz, et al.
Amino Acids
|
February 14, 2009
Catalytic effects of histidine enantiomers and glycine on the formation of dileucine and dimethionine in the salt-induced peptide formation reaction
Feng Li, Daniel Fitz, Donald G Fraser, et al.
The Journal of Physical Chemistry. B
|
August 30, 2008
Structural and dynamical properties of hydrogen fluoride in aqueous solution: an ab initio quantum mechanical charge field molecular dynamics simulation
Chinapong Kritayakornupong, Viwat Vchirawongkwin, Thomas S Hofer, et al.
Amino Acids
|
January 26, 2010
Arginine in the salt-induced peptide formation reaction: enantioselectivity facilitated by glycine, L- and D-histidine
Feng Li, Daniel Fitz, Donald G Fraser, et al.
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Showing results (31-40 of 98) with videos related to
Sort By:
Page
of 10
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 simulations
Thomas S Hofer, Bernhard R Randolf, Bernd M Rode
Physical Chemistry Chemical Physics : PCCP
|
June 15, 2010
The stability of [Zn(NH(3))(4)](2+) in water: A quantum mechanical/molecular mechanical molecular dynamics study
M Qaiser Fatmi, Thomas S Hofer, 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 approach
Thomas S Hofer, Bernhard R Randolf, Bernd M Rode
Journal of the American Chemical Society
|
February 6, 2003
Structure and dynamics of metal ions in solution: QM/MM molecular dynamics simulations of Mn(2+) and V(2+)
Christian F Schwenk, Hannes H Loeffler, 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 study
Thomas S Hofer, Bernhard R Randolf, Bernd M Rode
Dalton Transactions (Cambridge, England : 2003)
|
August 24, 2012
Characterization of structure and dynamics of an aqueous scandium(III) ion by an extended ab initio QM/MM molecular dynamics simulation
Viwat Vchirawongkwin, Chinapong Kritayakornupong, Anan Tongraar, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 30, 2010
Selective adsorption and chiral amplification of amino acids in vermiculite clay-implications for the origin of biochirality
Donald G Fraser, Daniel Fitz, T Jakschitz, et al.
Amino Acids
|
February 14, 2009
Catalytic effects of histidine enantiomers and glycine on the formation of dileucine and dimethionine in the salt-induced peptide formation reaction
Feng Li, Daniel Fitz, Donald G Fraser, et al.
The Journal of Physical Chemistry. B
|
August 30, 2008
Structural and dynamical properties of hydrogen fluoride in aqueous solution: an ab initio quantum mechanical charge field molecular dynamics simulation
Chinapong Kritayakornupong, Viwat Vchirawongkwin, Thomas S Hofer, et al.
Amino Acids
|
January 26, 2010
Arginine in the salt-induced peptide formation reaction: enantioselectivity facilitated by glycine, L- and D-histidine
Feng Li, Daniel Fitz, Donald G Fraser, et al.
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of 10