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Journal of Chemical Theory and Computation
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September 25, 2025
Modeling the Nonradiative Decay of Cyclooctatetrathiophene in Solution and Crystal Phases Using Machine Learning
Li Wang, Jingbai Li
Physical Chemistry Chemical Physics : PCCP
|
June 18, 2026
<i>Ab initio</i> molecular dynamics reveal multiple hydroxyl-driven degradation pathways of imidazolium-based anion exchange membranes
Xingyu Luo, Jingbai Li
Physical Chemistry Chemical Physics : PCCP
|
January 23, 2016
Aromatic stabilization of functionalized corannulene cations
Jingbai Li, Andrey Yu Rogachev
Physical Chemistry Chemical Physics : PCCP
|
December 6, 2014
SO₂--yet another two-faced ligand
Jingbai Li, Andrey Yu Rogachev
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
April 27, 2022
Excited-State Distortions Promote the Photochemical 4π-Electrocyclizations of Fluorobenzenes via Machine Learning Accelerated Photodynamics Simulations
Jingbai Li, Steven A Lopez
Accounts of Chemical Research
|
July 7, 2022
A Look Inside the Black Box of Machine Learning Photodynamics Simulations
Jingbai Li, Steven A Lopez
Journal of Computational Chemistry
|
September 10, 2019
Homolytic Versus Heterolytic Bond Breaking in Functionalized [R-C<sub>20</sub> H<sub>10</sub> ]<sup>+</sup> Systems
Jingbai Li, Andrey Yu Rogachev
The Journal of Physical Chemistry. A
|
September 1, 2020
Multiconfigurational Calculations and Nonadiabatic Molecular Dynamics Explain Tricyclooctadiene Photochemical Chemoselectivity
Jingbai Li, Steven A Lopez
The Journal of Organic Chemistry
|
February 5, 2021
A Theoretical Stereoselectivity Model of Photochemical Denitrogenations of Diazoalkanes Toward Strained 1,3-Dihalogenated Bicyclobutanes
Jingbai Li, Rachel Stein, Steven A Lopez
Journal of Computational Chemistry
|
October 12, 2018
Modulating stability of functionalized fullerene cations [R-C<sub>60</sub> ]<sup>+</sup> with the nature of R-group
Jingbai Li, Divya Tadakamalla, Andrey Yu Rogachev
Page
of 5
Search research articles
Search
Showing results (1-10 of 46) with videos related to
Sort By:
Page
of 5
Journal of Chemical Theory and Computation
|
September 25, 2025
Modeling the Nonradiative Decay of Cyclooctatetrathiophene in Solution and Crystal Phases Using Machine Learning
Li Wang, Jingbai Li
Physical Chemistry Chemical Physics : PCCP
|
June 18, 2026
<i>Ab initio</i> molecular dynamics reveal multiple hydroxyl-driven degradation pathways of imidazolium-based anion exchange membranes
Xingyu Luo, Jingbai Li
Physical Chemistry Chemical Physics : PCCP
|
January 23, 2016
Aromatic stabilization of functionalized corannulene cations
Jingbai Li, Andrey Yu Rogachev
Physical Chemistry Chemical Physics : PCCP
|
December 6, 2014
SO₂--yet another two-faced ligand
Jingbai Li, Andrey Yu Rogachev
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
April 27, 2022
Excited-State Distortions Promote the Photochemical 4π-Electrocyclizations of Fluorobenzenes via Machine Learning Accelerated Photodynamics Simulations
Jingbai Li, Steven A Lopez
Accounts of Chemical Research
|
July 7, 2022
A Look Inside the Black Box of Machine Learning Photodynamics Simulations
Jingbai Li, Steven A Lopez
Journal of Computational Chemistry
|
September 10, 2019
Homolytic Versus Heterolytic Bond Breaking in Functionalized [R-C<sub>20</sub> H<sub>10</sub> ]<sup>+</sup> Systems
Jingbai Li, Andrey Yu Rogachev
The Journal of Physical Chemistry. A
|
September 1, 2020
Multiconfigurational Calculations and Nonadiabatic Molecular Dynamics Explain Tricyclooctadiene Photochemical Chemoselectivity
Jingbai Li, Steven A Lopez
The Journal of Organic Chemistry
|
February 5, 2021
A Theoretical Stereoselectivity Model of Photochemical Denitrogenations of Diazoalkanes Toward Strained 1,3-Dihalogenated Bicyclobutanes
Jingbai Li, Rachel Stein, Steven A Lopez
Journal of Computational Chemistry
|
October 12, 2018
Modulating stability of functionalized fullerene cations [R-C<sub>60</sub> ]<sup>+</sup> with the nature of R-group
Jingbai Li, Divya Tadakamalla, Andrey Yu Rogachev
Page
of 5