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Journal of Chemical Theory and Computation
|
November 28, 2015
Theoretical Insights into Hydrogen Bonding and Its Influence on the Structural and Spectral Properties of Aquo Palladium(II) Complexes: cis-[(dppp)Pd(H2O)2](2+), cis-[(dppp)Pd(H2O)(OSO2CF3)](+)(OSO2CF3)(-), and cis-[(dppp)Pd(H2O)2](2+)(OSO2CF3)(-)2
Guang-Jiu Zhao, Ke-Li Han, Peter J Stang
The Journal of Physical Chemistry. A
|
February 17, 2006
A combined density functional theory and coupled cluster method investigation of the structural properties and stabilities of radical CH(2)CP and its isomers
Hai-Tao Yu, Ming-Xia Li, Ke-Li Han
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|
July 23, 2008
Attosecond-resolution quantum dynamics calculations for atoms and molecules in strong laser fields
Rui-Feng Lu, Pei-Yu Zhang, Ke-Li Han
The Journal of Physical Chemistry. A
|
December 19, 2009
DFT study of intermolecular [4 + 2] versus [3 + 2] cycloadditions in the dimerization of 2,4,6-trinitrotoluene (TNT): regioselectivity and stereoselectivity
Xiao-Fang Chen, Chun-Yuan Hou, Ke-Li Han
The Journal of Organic Chemistry
|
June 18, 2005
A DFT study of Diels-Alder reactions of o-quinone methides and various substituted ethenes: selectivity and reaction mechanism
Hongming Wang, Yong Wang, Ke-Li Han, et al.
Nanotechnology
|
May 18, 2013
Improving the performance of quantum dot-sensitized solar cells by using TiO2 nanosheets with exposed highly reactive facets
Ting You, Lei Jiang, Ke-Li Han, et al.
The Journal of Physical Chemistry. A
|
January 27, 2006
A quantum wave packet dynamics study of the N(2D) + H2 reaction
Tian-Shu Chu, Ke-Li Han, António J C Varandas
Journal of Computational Chemistry
|
July 11, 2008
Global dynamics and transition state theories: Comparative study of reaction rate constants for gas-phase chemical reactions
Li-Ping Ju, Ke-Li Han, John Z H Zhang
The Journal of Chemical Physics
|
December 5, 2012
Nonadiabatic ab initio molecular dynamics of photoisomerization in bridged azobenzene
Ai-Hua Gao, Bin Li, Pei-Yu Zhang, et al.
The Journal of Chemical Physics
|
December 15, 2005
Ab initio configuration-interaction study of the ground and low-lying electronic states of NiI
Chuan-Lu Yang, Feng Gao, Xiao-Yan Zhang, et al.
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Search research articles
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Showing results (31-40 of 112) with videos related to
Sort By:
Page
of 12
Journal of Chemical Theory and Computation
|
November 28, 2015
Theoretical Insights into Hydrogen Bonding and Its Influence on the Structural and Spectral Properties of Aquo Palladium(II) Complexes: cis-[(dppp)Pd(H2O)2](2+), cis-[(dppp)Pd(H2O)(OSO2CF3)](+)(OSO2CF3)(-), and cis-[(dppp)Pd(H2O)2](2+)(OSO2CF3)(-)2
Guang-Jiu Zhao, Ke-Li Han, Peter J Stang
The Journal of Physical Chemistry. A
|
February 17, 2006
A combined density functional theory and coupled cluster method investigation of the structural properties and stabilities of radical CH(2)CP and its isomers
Hai-Tao Yu, Ming-Xia Li, Ke-Li Han
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|
July 23, 2008
Attosecond-resolution quantum dynamics calculations for atoms and molecules in strong laser fields
Rui-Feng Lu, Pei-Yu Zhang, Ke-Li Han
The Journal of Physical Chemistry. A
|
December 19, 2009
DFT study of intermolecular [4 + 2] versus [3 + 2] cycloadditions in the dimerization of 2,4,6-trinitrotoluene (TNT): regioselectivity and stereoselectivity
Xiao-Fang Chen, Chun-Yuan Hou, Ke-Li Han
The Journal of Organic Chemistry
|
June 18, 2005
A DFT study of Diels-Alder reactions of o-quinone methides and various substituted ethenes: selectivity and reaction mechanism
Hongming Wang, Yong Wang, Ke-Li Han, et al.
Nanotechnology
|
May 18, 2013
Improving the performance of quantum dot-sensitized solar cells by using TiO2 nanosheets with exposed highly reactive facets
Ting You, Lei Jiang, Ke-Li Han, et al.
The Journal of Physical Chemistry. A
|
January 27, 2006
A quantum wave packet dynamics study of the N(2D) + H2 reaction
Tian-Shu Chu, Ke-Li Han, António J C Varandas
Journal of Computational Chemistry
|
July 11, 2008
Global dynamics and transition state theories: Comparative study of reaction rate constants for gas-phase chemical reactions
Li-Ping Ju, Ke-Li Han, John Z H Zhang
The Journal of Chemical Physics
|
December 5, 2012
Nonadiabatic ab initio molecular dynamics of photoisomerization in bridged azobenzene
Ai-Hua Gao, Bin Li, Pei-Yu Zhang, et al.
The Journal of Chemical Physics
|
December 15, 2005
Ab initio configuration-interaction study of the ground and low-lying electronic states of NiI
Chuan-Lu Yang, Feng Gao, Xiao-Yan Zhang, et al.
Page
of 12