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Journal of Computational Chemistry
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July 6, 2012
XO: an extended ONIOM method for accurate and efficient modeling of large systems
Wenping Guo, Anan Wu, Igor Ying Zhang, et al.
Journal of Cheminformatics
|
November 27, 2024
GT-NMR: a novel graph transformer-based approach for accurate prediction of NMR chemical shifts
Haochen Chen, Tao Liang, Kai Tan, et al.
The Journal of Physical Chemistry. A
|
June 25, 2020
xOPBE: A Specialized Functional for Accurate Prediction of <sup>13</sup>C Chemical Shifts
Jinkun Zhang, Qing Ye, Chao Yin, et al.
The Journal of Physical Chemistry. A
|
June 8, 2024
Accurate Structural Elucidation of Samoquasine A and an Unknown Homologue Using a Computation-Based Machine Learning Protocol
Anan Wu, Qiwen Chen, Jin Feng, et al.
ACS Omega
|
July 29, 2024
Advancing Ionic Liquid Research with pSCNN: A Novel Approach for Accurate Normal Melting Temperature Predictions
Tao Liang, Wei Liu, Kai Tan, et al.
Frontiers in Chemistry
|
September 26, 2019
Chemoselectivity in Gold(I)-Catalyzed Propargyl Ester Reactions: Insights From DFT Calculations
Qing Sun, Pan Hong, Dongdong Wei, et al.
The Journal of Organic Chemistry
|
April 7, 2022
Insights into the Mechanism of Metal-Catalyzed Transformation of Oxime Esters: Metal-Bound Radical Pathway vs Free Radical Pathway
Pan Hong, Xiaolin Song, Zhengqi Huang, et al.
The Journal of Chemical Physics
|
November 17, 2018
Accurate prediction of nuclear magnetic resonance shielding constants: An extension of the focal-point analysis method for magnetic parameter calculations (FPA-M) with improved efficiency
Kangli Wang, Meng Sun, Deng Cui, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 16, 2015
Internal dynamics in the molecular complex of CF3CN and H2O
Wei Lin, Anan Wu, Xin Lu, et al.
Precision Chemistry
|
August 29, 2025
Elucidating Structures of Complex Organic Compounds Using a Machine Learning Model Based on the <sup>13</sup>C NMR Chemical Shifts
Anan Wu, Qing Ye, Xiaowei Zhuang, et al.
Page
of 4
Search research articles
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Showing results (11-20 of 38) with videos related to
Sort By:
Page
of 4
Journal of Computational Chemistry
|
July 6, 2012
XO: an extended ONIOM method for accurate and efficient modeling of large systems
Wenping Guo, Anan Wu, Igor Ying Zhang, et al.
Journal of Cheminformatics
|
November 27, 2024
GT-NMR: a novel graph transformer-based approach for accurate prediction of NMR chemical shifts
Haochen Chen, Tao Liang, Kai Tan, et al.
The Journal of Physical Chemistry. A
|
June 25, 2020
xOPBE: A Specialized Functional for Accurate Prediction of <sup>13</sup>C Chemical Shifts
Jinkun Zhang, Qing Ye, Chao Yin, et al.
The Journal of Physical Chemistry. A
|
June 8, 2024
Accurate Structural Elucidation of Samoquasine A and an Unknown Homologue Using a Computation-Based Machine Learning Protocol
Anan Wu, Qiwen Chen, Jin Feng, et al.
ACS Omega
|
July 29, 2024
Advancing Ionic Liquid Research with pSCNN: A Novel Approach for Accurate Normal Melting Temperature Predictions
Tao Liang, Wei Liu, Kai Tan, et al.
Frontiers in Chemistry
|
September 26, 2019
Chemoselectivity in Gold(I)-Catalyzed Propargyl Ester Reactions: Insights From DFT Calculations
Qing Sun, Pan Hong, Dongdong Wei, et al.
The Journal of Organic Chemistry
|
April 7, 2022
Insights into the Mechanism of Metal-Catalyzed Transformation of Oxime Esters: Metal-Bound Radical Pathway vs Free Radical Pathway
Pan Hong, Xiaolin Song, Zhengqi Huang, et al.
The Journal of Chemical Physics
|
November 17, 2018
Accurate prediction of nuclear magnetic resonance shielding constants: An extension of the focal-point analysis method for magnetic parameter calculations (FPA-M) with improved efficiency
Kangli Wang, Meng Sun, Deng Cui, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 16, 2015
Internal dynamics in the molecular complex of CF3CN and H2O
Wei Lin, Anan Wu, Xin Lu, et al.
Precision Chemistry
|
August 29, 2025
Elucidating Structures of Complex Organic Compounds Using a Machine Learning Model Based on the <sup>13</sup>C NMR Chemical Shifts
Anan Wu, Qing Ye, Xiaowei Zhuang, et al.
Page
of 4