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The Journal of Physical Chemistry. A
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August 28, 2022
IDPConformerGenerator: A Flexible Software Suite for Sampling the Conformational Space of Disordered Protein States
João M C Teixeira, Zi Hao Liu, Ashley Namini, et al.
Journal of the American Chemical Society
|
August 2, 2024
Geometric Tuning of Coordinatively Unsaturated Copper(I) Sites in Metal-Organic Frameworks for Ambient-Temperature Hydrogen Storage
Yuto Yabuuchi, Hiroyasu Furukawa, Kurtis M Carsch, et al.
Journal of the American Chemical Society
|
February 19, 2021
Electron-Nuclear Dynamics Accompanying Proton-Coupled Electron Transfer
Yusuke Yoneda, S Jimena Mora, James Shee, et al.
Biorxiv : the Preprint Server for Biology
|
December 15, 2025
AlphaFlex: Ensembles of the human proteome representing disordered regions
Zi Hao Liu, Oufan Zhang, Stefano De Castro, et al.
Molecular Physics
|
July 20, 2023
M-Chem: a Modular Software Package for Molecular Simulation that Spans Scientific Domains
Jagna Witek, Joseph P Heindel, Xingyi Guan, et al.
Journal of the American Chemical Society
|
August 19, 2014
M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) metal-organic frameworks exhibiting increased charge density and enhanced H2 binding at the open metal sites
Matthew T Kapelewski, Stephen J Geier, Matthew R Hudson, et al.
Journal of Chemical Theory and Computation
|
May 10, 2021
Recent Advances for Improving the Accuracy, Transferability, and Efficiency of Reactive Force Fields
Itai Leven, Hongxia Hao, Songchen Tan, et al.
Nature Chemistry
|
November 24, 2017
Vibronically coherent ultrafast triplet-pair formation and subsequent thermally activated dissociation control efficient endothermic singlet fission
Hannah L Stern, Alexandre Cheminal, Shane R Yost, et al.
The Journal of Physical Chemistry Letters
|
May 16, 2022
Concerted Electron-Nuclear Motion in Proton-Coupled Electron Transfer-Driven Grotthuss-Type Proton Translocation
Eric A Arsenault, Walter D Guerra, James Shee, et al.
The Journal of Chemical Physics
|
November 17, 2018
Perspective: Computational chemistry software and its advancement as illustrated through three grand challenge cases for molecular science
Anna Krylov, Theresa L Windus, Taylor Barnes, et al.
Page
of 63
Search research articles
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Showing results (601-610 of 626) with videos related to
Sort By:
Page
of 63
The Journal of Physical Chemistry. A
|
August 28, 2022
IDPConformerGenerator: A Flexible Software Suite for Sampling the Conformational Space of Disordered Protein States
João M C Teixeira, Zi Hao Liu, Ashley Namini, et al.
Journal of the American Chemical Society
|
August 2, 2024
Geometric Tuning of Coordinatively Unsaturated Copper(I) Sites in Metal-Organic Frameworks for Ambient-Temperature Hydrogen Storage
Yuto Yabuuchi, Hiroyasu Furukawa, Kurtis M Carsch, et al.
Journal of the American Chemical Society
|
February 19, 2021
Electron-Nuclear Dynamics Accompanying Proton-Coupled Electron Transfer
Yusuke Yoneda, S Jimena Mora, James Shee, et al.
Biorxiv : the Preprint Server for Biology
|
December 15, 2025
AlphaFlex: Ensembles of the human proteome representing disordered regions
Zi Hao Liu, Oufan Zhang, Stefano De Castro, et al.
Molecular Physics
|
July 20, 2023
M-Chem: a Modular Software Package for Molecular Simulation that Spans Scientific Domains
Jagna Witek, Joseph P Heindel, Xingyi Guan, et al.
Journal of the American Chemical Society
|
August 19, 2014
M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) metal-organic frameworks exhibiting increased charge density and enhanced H2 binding at the open metal sites
Matthew T Kapelewski, Stephen J Geier, Matthew R Hudson, et al.
Journal of Chemical Theory and Computation
|
May 10, 2021
Recent Advances for Improving the Accuracy, Transferability, and Efficiency of Reactive Force Fields
Itai Leven, Hongxia Hao, Songchen Tan, et al.
Nature Chemistry
|
November 24, 2017
Vibronically coherent ultrafast triplet-pair formation and subsequent thermally activated dissociation control efficient endothermic singlet fission
Hannah L Stern, Alexandre Cheminal, Shane R Yost, et al.
The Journal of Physical Chemistry Letters
|
May 16, 2022
Concerted Electron-Nuclear Motion in Proton-Coupled Electron Transfer-Driven Grotthuss-Type Proton Translocation
Eric A Arsenault, Walter D Guerra, James Shee, et al.
The Journal of Chemical Physics
|
November 17, 2018
Perspective: Computational chemistry software and its advancement as illustrated through three grand challenge cases for molecular science
Anna Krylov, Theresa L Windus, Taylor Barnes, et al.
Page
of 63