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Journal of Chemical Theory and Computation
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April 11, 2022
Conformational Sampling for Transition State Searches on a Computational Budget
Qiyuan Zhao, Hsuan-Hao Hsu, Brett M Savoie
The Journal of Physical Chemistry Letters
|
July 22, 2025
Reaction Exploration Reveals Strong Kinetic Filtering in Li-Ion Battery Electrolyte Degradation
Hsuan-Hao Hsu, Tianfan Jin, Brett M Savoie
Journal of Chemical Information and Modeling
|
August 9, 2019
New Data Structure for Computational Molecular Design with Atomic or Fragment Resolution
Hsuan-Hao Hsu, Chen-Hsuan Huang, Shiang-Tai Lin
Faraday Discussions
|
December 11, 2024
Large property models: a new generative machine-learning formulation for molecules
Tianfan Jin, Veerupaksh Singla, Hsuan-Hao Hsu, et al.
Journal of Chemical Theory and Computation
|
June 18, 2025
Graphically Defined Model Reactions Are Extensible, Accurate, and Systematically Improvable
Qiyuan Zhao, Veerupaksh Singla, Hsuan-Hao Hsu, et al.
Angewandte Chemie (International Ed. in English)
|
October 22, 2024
Selenium Dioxide Catalyzed Polymerization of N-doped Poly(benzodifurandione) (n-PBDF) and Its Derivatives
Guangchao Liu, Hsuan-Hao Hsu, Sanket Samal, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 6) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
April 11, 2022
Conformational Sampling for Transition State Searches on a Computational Budget
Qiyuan Zhao, Hsuan-Hao Hsu, Brett M Savoie
The Journal of Physical Chemistry Letters
|
July 22, 2025
Reaction Exploration Reveals Strong Kinetic Filtering in Li-Ion Battery Electrolyte Degradation
Hsuan-Hao Hsu, Tianfan Jin, Brett M Savoie
Journal of Chemical Information and Modeling
|
August 9, 2019
New Data Structure for Computational Molecular Design with Atomic or Fragment Resolution
Hsuan-Hao Hsu, Chen-Hsuan Huang, Shiang-Tai Lin
Faraday Discussions
|
December 11, 2024
Large property models: a new generative machine-learning formulation for molecules
Tianfan Jin, Veerupaksh Singla, Hsuan-Hao Hsu, et al.
Journal of Chemical Theory and Computation
|
June 18, 2025
Graphically Defined Model Reactions Are Extensible, Accurate, and Systematically Improvable
Qiyuan Zhao, Veerupaksh Singla, Hsuan-Hao Hsu, et al.
Angewandte Chemie (International Ed. in English)
|
October 22, 2024
Selenium Dioxide Catalyzed Polymerization of N-doped Poly(benzodifurandione) (n-PBDF) and Its Derivatives
Guangchao Liu, Hsuan-Hao Hsu, Sanket Samal, et al.
Page
of 1