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Frederick R Manby

Showing results (71-80 of 76) with videos related to

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Journal of Chemical Theory and Computation|May 23, 2020
Embedded Mean-Field Theory for Solution-Phase Transition-Metal Polyolefin CatalysisLeanne 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 DehydrogenaseKara 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 enzymesFrederik 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 accuracyAnders S Christensen, Sai Krishna Sirumalla, Zhuoran Qiao, et al.
The Journal of Chemical Physics|April 17, 2020
The Molpro quantum chemistry packageHans-Joachim Werner, Peter J Knowles, Frederick R Manby, et al.
Pageof 8

Showing results (71-80 of 76) with videos related to

Sort By:
Pageof 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 CatalysisLeanne 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 DehydrogenaseKara 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 enzymesFrederik 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 accuracyAnders S Christensen, Sai Krishna Sirumalla, Zhuoran Qiao, et al.
The Journal of Chemical Physics|April 17, 2020
The Molpro quantum chemistry packageHans-Joachim Werner, Peter J Knowles, Frederick R Manby, et al.
Pageof 8