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Journal of Computational Chemistry
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November 20, 2019
Functional and Basis Set Dependence for Time-Dependent Density Functional Theory Trajectory Surface Hopping Molecular Dynamics: Cis-Azobenzene Photoisomerization
Linfeng Ye, Chao Xu, Feng Long Gu, et al.
Journal of Chemical Theory and Computation
|
January 19, 2026
Correction to "Regularized Localized Molecular Orbitals in a Divide-and-Conquer Approach for Linear Scaling Calculations"
Liang Peng, Daoling Peng, Feng Long Gu, et al.
Journal of Chemical Theory and Computation
|
April 13, 2022
Regularized Localized Molecular Orbitals in a Divide-and-Conquer Approach for Linear Scaling Calculations
Liang Peng, Daoling Peng, Feng Long Gu, et al.
The Journal of Physical Chemistry Letters
|
October 14, 2021
Simulation of Open Quantum Dynamics with Bootstrap-Based Long Short-Term Memory Recurrent Neural Network
Kunni Lin, Jiawei Peng, Feng Long Gu, et al.
The Journal of Physical Chemistry. A
|
January 24, 2020
Insight into the Expanded Mislinked Porphyrins with High Second Order Nonlinear Optical Response
Bo Li, Palanivel Sathishkumar, Feng Long Gu, et al.
The Journal of Organic Chemistry
|
November 19, 2013
Theoretical study on the mechanism of stereoselective synthesis of oxazolidinones
Abing Duan, Liang Peng, Daoling Peng, et al.
The Journal of Chemical Physics
|
June 15, 2007
Efficient and accurate calculations on the electronic structure of B-type poly(dG).poly(dC) DNA by elongation method: first step toward the understanding of the biological properties of aperiodic DNA
Yuuichi Orimoto, Feng Long Gu, Akira Imamura, et al.
The Journal of Chemical Physics
|
February 27, 2008
Band structure built from oligomer calculations
Anna Pomogaeva, Bernard Kirtman, Feng Long Gu, et al.
Journal of Computational Chemistry
|
July 27, 2006
Efficiency and accuracy of the elongation method as applied to the electronic structures of large systems
Marcin Makowski, Jacek Korchowiec, Feng Long Gu, et al.
The Journal of Physical Chemistry Letters
|
January 6, 2022
Second-Order Nonlinear Optics Response of the Boron-Dipyrromethenes-Based Mislinked Expanded Porphyrins: Revealing the Role of the -BF<sub>2</sub> Group
Bo Li, Hujun Shen, Mingsen Deng, et al.
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of 9
Search research articles
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Showing results (11-20 of 85) with videos related to
Sort By:
Page
of 9
Journal of Computational Chemistry
|
November 20, 2019
Functional and Basis Set Dependence for Time-Dependent Density Functional Theory Trajectory Surface Hopping Molecular Dynamics: Cis-Azobenzene Photoisomerization
Linfeng Ye, Chao Xu, Feng Long Gu, et al.
Journal of Chemical Theory and Computation
|
January 19, 2026
Correction to "Regularized Localized Molecular Orbitals in a Divide-and-Conquer Approach for Linear Scaling Calculations"
Liang Peng, Daoling Peng, Feng Long Gu, et al.
Journal of Chemical Theory and Computation
|
April 13, 2022
Regularized Localized Molecular Orbitals in a Divide-and-Conquer Approach for Linear Scaling Calculations
Liang Peng, Daoling Peng, Feng Long Gu, et al.
The Journal of Physical Chemistry Letters
|
October 14, 2021
Simulation of Open Quantum Dynamics with Bootstrap-Based Long Short-Term Memory Recurrent Neural Network
Kunni Lin, Jiawei Peng, Feng Long Gu, et al.
The Journal of Physical Chemistry. A
|
January 24, 2020
Insight into the Expanded Mislinked Porphyrins with High Second Order Nonlinear Optical Response
Bo Li, Palanivel Sathishkumar, Feng Long Gu, et al.
The Journal of Organic Chemistry
|
November 19, 2013
Theoretical study on the mechanism of stereoselective synthesis of oxazolidinones
Abing Duan, Liang Peng, Daoling Peng, et al.
The Journal of Chemical Physics
|
June 15, 2007
Efficient and accurate calculations on the electronic structure of B-type poly(dG).poly(dC) DNA by elongation method: first step toward the understanding of the biological properties of aperiodic DNA
Yuuichi Orimoto, Feng Long Gu, Akira Imamura, et al.
The Journal of Chemical Physics
|
February 27, 2008
Band structure built from oligomer calculations
Anna Pomogaeva, Bernard Kirtman, Feng Long Gu, et al.
Journal of Computational Chemistry
|
July 27, 2006
Efficiency and accuracy of the elongation method as applied to the electronic structures of large systems
Marcin Makowski, Jacek Korchowiec, Feng Long Gu, et al.
The Journal of Physical Chemistry Letters
|
January 6, 2022
Second-Order Nonlinear Optics Response of the Boron-Dipyrromethenes-Based Mislinked Expanded Porphyrins: Revealing the Role of the -BF<sub>2</sub> Group
Bo Li, Hujun Shen, Mingsen Deng, et al.
Page
of 9