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Journal of the American Chemical Society
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March 5, 2020
Enhancing the Understanding of Hydrogen Evolution and Oxidation Reactions on Pt(111) through Ab Initio Simulation of Electrode/Electrolyte Kinetics
Ling Liu, Yuyang Liu, Chungen Liu
The Journal of Chemical Physics
|
July 23, 2004
"Triplet-excited region" in polyene oligomers revisited: Pariser-Parr-Pople model studied with the density matrix renormalization group method
Haibo Ma, Chungen Liu, Yuansheng Jiang
The Journal of Chemical Physics
|
September 17, 2005
Theoretical study of the lowest pi-->pi* excitation energies for neutral and doped polyenes
Haibo Ma, Chungen Liu, Yuansheng Jiang
The Journal of Chemical Physics
|
May 1, 2025
An iterative and automatic collective variable optimization scheme via unsupervised feature selection with CUR matrix decomposition
Yunsong Fu, Ye Mei, Chungen Liu
Journal of Chemical Theory and Computation
|
September 13, 2017
Efficient Reconstruction of CAS-CI-Type Wave Functions for a DMRG State Using Quantum Information Theory and a Genetic Algorithm
Zhen Luo, Yingjin Ma, Chungen Liu, et al.
The Journal of Physical Chemistry. A
|
June 17, 2009
Open-shell ground state of polyacenes: a valence bond study
Zexing Qu, Dawei Zhang, Chungen Liu, et al.
Journal of Chemical Information and Modeling
|
April 6, 2005
An alternative strategy for count and storage of Kekulé and longer range resonance valence bond structures
Fei Cai, Heqing Shao, Chungen Liu, et al.
The Journal of Chemical Physics
|
April 20, 2005
Spin distribution in neutral polyene radicals: Pariser-Parr-Pople model studied with the density matrix renormalization group method
Haibo Ma, Fei Cai, Chungen Liu, et al.
The Journal of Chemical Physics
|
February 9, 2007
Static polarizability and second hyperpolarizability of closed- and open-shell pi-conjugated polymers
Weifeng Hu, Haibo Ma, Chungen Liu, et al.
The Journal of Chemical Physics
|
January 19, 2011
Excitation energy calculation of conjugated hydrocarbons: a new Pariser-Parr-Pople model parameterization approaching CASPT2 accuracy
Dawei Zhang, Zexing Qu, Chungen Liu, et al.
Page
of 4
Search research articles
Search
Showing results (11-20 of 39) with videos related to
Sort By:
Page
of 4
Journal of the American Chemical Society
|
March 5, 2020
Enhancing the Understanding of Hydrogen Evolution and Oxidation Reactions on Pt(111) through Ab Initio Simulation of Electrode/Electrolyte Kinetics
Ling Liu, Yuyang Liu, Chungen Liu
The Journal of Chemical Physics
|
July 23, 2004
"Triplet-excited region" in polyene oligomers revisited: Pariser-Parr-Pople model studied with the density matrix renormalization group method
Haibo Ma, Chungen Liu, Yuansheng Jiang
The Journal of Chemical Physics
|
September 17, 2005
Theoretical study of the lowest pi-->pi* excitation energies for neutral and doped polyenes
Haibo Ma, Chungen Liu, Yuansheng Jiang
The Journal of Chemical Physics
|
May 1, 2025
An iterative and automatic collective variable optimization scheme via unsupervised feature selection with CUR matrix decomposition
Yunsong Fu, Ye Mei, Chungen Liu
Journal of Chemical Theory and Computation
|
September 13, 2017
Efficient Reconstruction of CAS-CI-Type Wave Functions for a DMRG State Using Quantum Information Theory and a Genetic Algorithm
Zhen Luo, Yingjin Ma, Chungen Liu, et al.
The Journal of Physical Chemistry. A
|
June 17, 2009
Open-shell ground state of polyacenes: a valence bond study
Zexing Qu, Dawei Zhang, Chungen Liu, et al.
Journal of Chemical Information and Modeling
|
April 6, 2005
An alternative strategy for count and storage of Kekulé and longer range resonance valence bond structures
Fei Cai, Heqing Shao, Chungen Liu, et al.
The Journal of Chemical Physics
|
April 20, 2005
Spin distribution in neutral polyene radicals: Pariser-Parr-Pople model studied with the density matrix renormalization group method
Haibo Ma, Fei Cai, Chungen Liu, et al.
The Journal of Chemical Physics
|
February 9, 2007
Static polarizability and second hyperpolarizability of closed- and open-shell pi-conjugated polymers
Weifeng Hu, Haibo Ma, Chungen Liu, et al.
The Journal of Chemical Physics
|
January 19, 2011
Excitation energy calculation of conjugated hydrocarbons: a new Pariser-Parr-Pople model parameterization approaching CASPT2 accuracy
Dawei Zhang, Zexing Qu, Chungen Liu, et al.
Page
of 4