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Journal of Chemical Theory and Computation
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May 28, 2026
Toward Robust Three-State Diabatization: A Systematic Benchmark of O(3) Transformation Parameterizations
Yang Zhang, Jiao Li, Guoxia Gou, et al.
The Journal of Physical Chemistry. A
|
January 9, 2026
Bonding Nature of Diabatic Representation in Nonlinear Hydrogen Atom Transfer Reactions
Yang Zhang, Guoxia Gou, Jiao Li, et al.
The Journal of Physical Chemistry Letters
|
July 29, 2025
Valence Bond Wave-Function-Based Automatic Diabatization Approach
Yang Zhang, Jiao Li, Guoxia Gou, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 3) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
May 28, 2026
Toward Robust Three-State Diabatization: A Systematic Benchmark of O(3) Transformation Parameterizations
Yang Zhang, Jiao Li, Guoxia Gou, et al.
The Journal of Physical Chemistry. A
|
January 9, 2026
Bonding Nature of Diabatic Representation in Nonlinear Hydrogen Atom Transfer Reactions
Yang Zhang, Guoxia Gou, Jiao Li, et al.
The Journal of Physical Chemistry Letters
|
July 29, 2025
Valence Bond Wave-Function-Based Automatic Diabatization Approach
Yang Zhang, Jiao Li, Guoxia Gou, et al.
Page
of 1