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The Journal of Physical Chemistry. A
|
October 9, 2009
Quantum chemical calculation of type-1 cu reduction potential: ligand interaction and solvation effect
Dejun Si, Hui Li
The Journal of Chemical Physics
|
August 7, 2009
Heterogeneous conductorlike solvation model
Dejun Si, Hui Li
The Journal of Chemical Physics
|
October 21, 2011
Analytic energy gradients in combined second order Møller-Plesset perturbation theory and conductorlike polarizable continuum model calculation
Dejun Si, Hui Li
The Journal of Chemical Physics
|
October 19, 2010
Analytic energy gradient in combined time-dependent density functional theory and polarizable force field calculation
Dejun Si, Hui Li
The Journal of Chemical Physics
|
May 10, 2014
Quantum mechanical/molecular mechanical/continuum style solvation model: second order Møller-Plesset perturbation theory
Nandun M Thellamurege, Dejun Si, Fengchao Cui, et al.
Journal of Computational Chemistry
|
October 15, 2013
QuanPol: a full spectrum and seamless QM/MM program
Nandun M Thellamurege, Dejun Si, Fengchao Cui, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 6) with videos related to
Sort By:
Page
of 1
The Journal of Physical Chemistry. A
|
October 9, 2009
Quantum chemical calculation of type-1 cu reduction potential: ligand interaction and solvation effect
Dejun Si, Hui Li
The Journal of Chemical Physics
|
August 7, 2009
Heterogeneous conductorlike solvation model
Dejun Si, Hui Li
The Journal of Chemical Physics
|
October 21, 2011
Analytic energy gradients in combined second order Møller-Plesset perturbation theory and conductorlike polarizable continuum model calculation
Dejun Si, Hui Li
The Journal of Chemical Physics
|
October 19, 2010
Analytic energy gradient in combined time-dependent density functional theory and polarizable force field calculation
Dejun Si, Hui Li
The Journal of Chemical Physics
|
May 10, 2014
Quantum mechanical/molecular mechanical/continuum style solvation model: second order Møller-Plesset perturbation theory
Nandun M Thellamurege, Dejun Si, Fengchao Cui, et al.
Journal of Computational Chemistry
|
October 15, 2013
QuanPol: a full spectrum and seamless QM/MM program
Nandun M Thellamurege, Dejun Si, Fengchao Cui, et al.
Page
of 1