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The Journal of Physical Chemistry. A
|
October 3, 2008
On the construction of diabatic and adiabatic potential energy surfaces based on ab initio valence bond theory
Lingchun Song, Jiali Gao
Journal of Chemical Theory and Computation
|
January 5, 2010
An Effective Hamiltonian Molecular Orbital-Valence Bond (MOVB) Approach for Chemical Reactions Applied to the Nucleophilic Substitution Reaction of Hydrosulfide Ion and Chloromethane
Lingchun Song, Yirong Mo, Jiali Gao
The Journal of Physical Chemistry. A
|
July 28, 2007
Block-localized wavefunction (BLW) method at the density functional theory (DFT) level
Yirong Mo, Lingchun Song, Yuchun Lin
Journal of Computational Chemistry
|
February 11, 2005
XMVB: a program for ab initio nonorthogonal valence bond computations
Lingchun Song, Yirong Mo, Qianer Zhang, et al.
Journal of Computational Chemistry
|
January 22, 2004
A practical valence bond method: a configuration interaction method approach with perturbation theoretic facility
Lingchun Song, Wei Wu, Qianer Zhang, et al.
Journal of the American Chemical Society
|
March 25, 2004
Charge transfer in the electron donor-acceptor complex BH3NH3
Yirong Mo, Lingchun Song, Wei Wu, et al.
Journal of Chemical Theory and Computation
|
March 16, 2010
Block-Localized Density Functional Theory (BLDFT), Diabatic Coupling, and Their Use in Valence Bond Theory for Representing Reactive Potential Energy Surfaces
Alessandro Cembran, Lingchun Song, Yirong Mo, et al.
Journal of Computational Chemistry
|
July 17, 2008
An efficient algorithm for energy gradients and orbital optimization in valence bond theory
Lingchun Song, Jinshuai Song, Yirong Mo, et al.
Journal of Chemical Theory and Computation
|
January 5, 2010
Perspective on Diabatic Models of Chemical Reactivity as Illustrated by the Gas-Phase S(N)2 Reaction of Acetate Ion with 1,2-Dichloroethane
Rosendo Valero, Lingchun Song, Jiali Gao, et al.
The Journal of Chemical Physics
|
June 24, 2008
The variational explicit polarization potential and analytical first derivative of energy: Towards a next generation force field
Wangshen Xie, Lingchun Song, Donald G Truhlar, et al.
Page
of 3
Search research articles
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Showing results (1-10 of 28) with videos related to
Sort By:
Page
of 3
The Journal of Physical Chemistry. A
|
October 3, 2008
On the construction of diabatic and adiabatic potential energy surfaces based on ab initio valence bond theory
Lingchun Song, Jiali Gao
Journal of Chemical Theory and Computation
|
January 5, 2010
An Effective Hamiltonian Molecular Orbital-Valence Bond (MOVB) Approach for Chemical Reactions Applied to the Nucleophilic Substitution Reaction of Hydrosulfide Ion and Chloromethane
Lingchun Song, Yirong Mo, Jiali Gao
The Journal of Physical Chemistry. A
|
July 28, 2007
Block-localized wavefunction (BLW) method at the density functional theory (DFT) level
Yirong Mo, Lingchun Song, Yuchun Lin
Journal of Computational Chemistry
|
February 11, 2005
XMVB: a program for ab initio nonorthogonal valence bond computations
Lingchun Song, Yirong Mo, Qianer Zhang, et al.
Journal of Computational Chemistry
|
January 22, 2004
A practical valence bond method: a configuration interaction method approach with perturbation theoretic facility
Lingchun Song, Wei Wu, Qianer Zhang, et al.
Journal of the American Chemical Society
|
March 25, 2004
Charge transfer in the electron donor-acceptor complex BH3NH3
Yirong Mo, Lingchun Song, Wei Wu, et al.
Journal of Chemical Theory and Computation
|
March 16, 2010
Block-Localized Density Functional Theory (BLDFT), Diabatic Coupling, and Their Use in Valence Bond Theory for Representing Reactive Potential Energy Surfaces
Alessandro Cembran, Lingchun Song, Yirong Mo, et al.
Journal of Computational Chemistry
|
July 17, 2008
An efficient algorithm for energy gradients and orbital optimization in valence bond theory
Lingchun Song, Jinshuai Song, Yirong Mo, et al.
Journal of Chemical Theory and Computation
|
January 5, 2010
Perspective on Diabatic Models of Chemical Reactivity as Illustrated by the Gas-Phase S(N)2 Reaction of Acetate Ion with 1,2-Dichloroethane
Rosendo Valero, Lingchun Song, Jiali Gao, et al.
The Journal of Chemical Physics
|
June 24, 2008
The variational explicit polarization potential and analytical first derivative of energy: Towards a next generation force field
Wangshen Xie, Lingchun Song, Donald G Truhlar, et al.
Page
of 3