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Journal of Chemical Theory and Computation
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May 23, 2020
Embedded Mean-Field Theory for Solution-Phase Transition-Metal Polyolefin Catalysis
Leanne D Chen, James J Lawniczak, Feizhi Ding, et al.
The Journal of Physical Chemistry. B
|
September 21, 2017
Ab Initio QM/MM Modeling of the Rate-Limiting Proton Transfer Step in the Deamination of Tryptamine by Aromatic Amine Dehydrogenase
Kara E Ranaghan, William G Morris, Laura Masgrau, et al.
Angewandte Chemie (International Ed. in English)
|
September 23, 2006
High-accuracy computation of reaction barriers in enzymes
Frederik Claeyssens, Jeremy N Harvey, Frederick R Manby, et al.
The Journal of Physical Chemistry Letters
|
August 13, 2015
What Is the Price of Open-Source Software?
Anna I Krylov, John M Herbert, Filipp Furche, et al.
The Journal of Chemical Physics
|
December 2, 2021
OrbNet Denali: A machine learning potential for biological and organic chemistry with semi-empirical cost and DFT accuracy
Anders S Christensen, Sai Krishna Sirumalla, Zhuoran Qiao, et al.
The Journal of Chemical Physics
|
April 17, 2020
The Molpro quantum chemistry package
Hans-Joachim Werner, Peter J Knowles, Frederick R Manby, et al.
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Search research articles
Search
Showing results (71-80 of 76) with videos related to
Sort By:
Page
of 8
You have reached the last page of results.
This site can display upto 76 results.
Journal of Chemical Theory and Computation
|
May 23, 2020
Embedded Mean-Field Theory for Solution-Phase Transition-Metal Polyolefin Catalysis
Leanne D Chen, James J Lawniczak, Feizhi Ding, et al.
The Journal of Physical Chemistry. B
|
September 21, 2017
Ab Initio QM/MM Modeling of the Rate-Limiting Proton Transfer Step in the Deamination of Tryptamine by Aromatic Amine Dehydrogenase
Kara E Ranaghan, William G Morris, Laura Masgrau, et al.
Angewandte Chemie (International Ed. in English)
|
September 23, 2006
High-accuracy computation of reaction barriers in enzymes
Frederik Claeyssens, Jeremy N Harvey, Frederick R Manby, et al.
The Journal of Physical Chemistry Letters
|
August 13, 2015
What Is the Price of Open-Source Software?
Anna I Krylov, John M Herbert, Filipp Furche, et al.
The Journal of Chemical Physics
|
December 2, 2021
OrbNet Denali: A machine learning potential for biological and organic chemistry with semi-empirical cost and DFT accuracy
Anders S Christensen, Sai Krishna Sirumalla, Zhuoran Qiao, et al.
The Journal of Chemical Physics
|
April 17, 2020
The Molpro quantum chemistry package
Hans-Joachim Werner, Peter J Knowles, Frederick R Manby, et al.
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of 8