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Journal of Chemical Theory and Computation
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May 11, 2017
Franck-Condon Models for Simulating the Band Shape of Electronic Absorption Spectra
Shaohong L Li, Donald G Truhlar
Journal of Chemical Theory and Computation
|
November 18, 2015
Improving Rydberg Excitations within Time-Dependent Density Functional Theory with Generalized Gradient Approximations: The Exchange-Enhancement-for-Large-Gradient Scheme
Shaohong L Li, Donald G Truhlar
The Journal of Chemical Physics
|
August 3, 2017
Full-dimensional multi-state simulation of the photodissociation of thioanisole
Shaohong L Li, Donald G Truhlar
The Journal of Chemical Physics
|
September 15, 2014
Testing time-dependent density functional theory with depopulated molecular orbitals for predicting electronic excitation energies of valence, Rydberg, and charge-transfer states and potential energies near a conical intersection
Shaohong L Li, Donald G Truhlar
The Journal of Chemical Physics
|
February 17, 2017
Full-dimensional ground- and excited-state potential energy surfaces and state couplings for photodissociation of thioanisole
Shaohong L Li, Donald G Truhlar
Journal of Chemical Theory and Computation
|
November 20, 2015
Modeling the Partial Atomic Charges in Inorganometallic Molecules and Solids and Charge Redistribution in Lithium-Ion Cathodes
Bo Wang, Shaohong L Li, Donald G Truhlar
Physical Chemistry Chemical Physics : PCCP
|
June 20, 2015
Computational simulation and interpretation of the low-lying excited electronic states and electronic spectrum of thioanisole
Shaohong L Li, Xuefei Xu, Donald G Truhlar
The Journal of Chemical Physics
|
October 27, 2016
Perspective: Kohn-Sham density functional theory descending a staircase
Haoyu S Yu, Shaohong L Li, Donald G Truhlar
The Journal of Physical Chemistry Letters
|
August 14, 2015
Configuration Interaction-Corrected Tamm-Dancoff Approximation: A Time-Dependent Density Functional Method with the Correct Dimensionality of Conical Intersections
Shaohong L Li, Aleksandr V Marenich, Xuefei Xu, et al.
Chemical Science
|
August 30, 2018
MN15: A Kohn-Sham global-hybrid exchange-correlation density functional with broad accuracy for multi-reference and single-reference systems and noncovalent interactions
Haoyu S Yu, Xiao He, Shaohong L Li, et al.
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of 2
Search research articles
Search
Showing results (1-10 of 14) with videos related to
Sort By:
Page
of 2
Journal of Chemical Theory and Computation
|
May 11, 2017
Franck-Condon Models for Simulating the Band Shape of Electronic Absorption Spectra
Shaohong L Li, Donald G Truhlar
Journal of Chemical Theory and Computation
|
November 18, 2015
Improving Rydberg Excitations within Time-Dependent Density Functional Theory with Generalized Gradient Approximations: The Exchange-Enhancement-for-Large-Gradient Scheme
Shaohong L Li, Donald G Truhlar
The Journal of Chemical Physics
|
August 3, 2017
Full-dimensional multi-state simulation of the photodissociation of thioanisole
Shaohong L Li, Donald G Truhlar
The Journal of Chemical Physics
|
September 15, 2014
Testing time-dependent density functional theory with depopulated molecular orbitals for predicting electronic excitation energies of valence, Rydberg, and charge-transfer states and potential energies near a conical intersection
Shaohong L Li, Donald G Truhlar
The Journal of Chemical Physics
|
February 17, 2017
Full-dimensional ground- and excited-state potential energy surfaces and state couplings for photodissociation of thioanisole
Shaohong L Li, Donald G Truhlar
Journal of Chemical Theory and Computation
|
November 20, 2015
Modeling the Partial Atomic Charges in Inorganometallic Molecules and Solids and Charge Redistribution in Lithium-Ion Cathodes
Bo Wang, Shaohong L Li, Donald G Truhlar
Physical Chemistry Chemical Physics : PCCP
|
June 20, 2015
Computational simulation and interpretation of the low-lying excited electronic states and electronic spectrum of thioanisole
Shaohong L Li, Xuefei Xu, Donald G Truhlar
The Journal of Chemical Physics
|
October 27, 2016
Perspective: Kohn-Sham density functional theory descending a staircase
Haoyu S Yu, Shaohong L Li, Donald G Truhlar
The Journal of Physical Chemistry Letters
|
August 14, 2015
Configuration Interaction-Corrected Tamm-Dancoff Approximation: A Time-Dependent Density Functional Method with the Correct Dimensionality of Conical Intersections
Shaohong L Li, Aleksandr V Marenich, Xuefei Xu, et al.
Chemical Science
|
August 30, 2018
MN15: A Kohn-Sham global-hybrid exchange-correlation density functional with broad accuracy for multi-reference and single-reference systems and noncovalent interactions
Haoyu S Yu, Xiao He, Shaohong L Li, et al.
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of 2