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Peter J Knowles

Showing results (21-30 of 34) with videos related to

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RSC Advances|June 26, 2025
Is there a trend in inductive effect for different alkyl groups?Mark C Elliott, Colan E Hughes, Peter J Knowles, et al.
Organic & Biomolecular Chemistry|November 15, 2024
Alkyl groups in organic molecules are NOT inductively electron-releasingMark C Elliott, Colan E Hughes, Peter J Knowles, et al.
The Journal of Chemical Physics|December 9, 2020
Coupling electrons and vibrations in molecular quantum chemistryThomas Dresselhaus, Callum B A Bungey, Peter J Knowles, et al.
Journal of Chemical Theory and Computation|June 28, 2019
Ultrafast Photoinduced Dynamics of 1,3-Cyclohexadiene Using XMS-CASPT2 Surface HoppingIakov Polyak, Lewis Hutton, Rachel Crespo-Otero, et al.
Journal of Computational Chemistry|February 13, 2024
A density-fitting implementation of the density-based basis-set correction methodAndreas Heßelmann, Emmanuel Giner, Peter Reinhardt, et al.
The Journal of Physical Chemistry Letters|November 4, 2016
Quantum Tunneling Rates of Gas-Phase Reactions from On-the-Fly Instanton CalculationsAdrian N Beyer, Jeremy O Richardson, Peter J Knowles, et al.
Journal of Chemical Theory and Computation|October 12, 2017
Quantum Chemistry in Dataflow: Density-Fitting MP2Bridgette Cooper, Stephen Girdlestone, Pavel Burovskiy, et al.
The Journal of Chemical Physics|August 10, 2015
Analytic nuclear forces and molecular properties from full configuration interaction quantum Monte CarloRobert E Thomas, Daniel Opalka, Catherine Overy, et al.
The Journal of Physical Chemistry. A|December 4, 2018
An Extended Computational Study of Criegee Intermediate-Alcohol ReactionsNathan A I Watson, Joshua A Black, Thomas M Stonelake, et al.
Science (New York, N.Y.)|January 25, 2003
High-accuracy ab initio rotation-vibration transitions for waterOleg L Polyansky, Attila G Császár, Sergei V Shirin, et al.
Pageof 4

Showing results (21-30 of 34) with videos related to

Sort By:
Pageof 4
RSC Advances|June 26, 2025
Is there a trend in inductive effect for different alkyl groups?Mark C Elliott, Colan E Hughes, Peter J Knowles, et al.
Organic & Biomolecular Chemistry|November 15, 2024
Alkyl groups in organic molecules are NOT inductively electron-releasingMark C Elliott, Colan E Hughes, Peter J Knowles, et al.
The Journal of Chemical Physics|December 9, 2020
Coupling electrons and vibrations in molecular quantum chemistryThomas Dresselhaus, Callum B A Bungey, Peter J Knowles, et al.
Journal of Chemical Theory and Computation|June 28, 2019
Ultrafast Photoinduced Dynamics of 1,3-Cyclohexadiene Using XMS-CASPT2 Surface HoppingIakov Polyak, Lewis Hutton, Rachel Crespo-Otero, et al.
Journal of Computational Chemistry|February 13, 2024
A density-fitting implementation of the density-based basis-set correction methodAndreas Heßelmann, Emmanuel Giner, Peter Reinhardt, et al.
The Journal of Physical Chemistry Letters|November 4, 2016
Quantum Tunneling Rates of Gas-Phase Reactions from On-the-Fly Instanton CalculationsAdrian N Beyer, Jeremy O Richardson, Peter J Knowles, et al.
Journal of Chemical Theory and Computation|October 12, 2017
Quantum Chemistry in Dataflow: Density-Fitting MP2Bridgette Cooper, Stephen Girdlestone, Pavel Burovskiy, et al.
The Journal of Chemical Physics|August 10, 2015
Analytic nuclear forces and molecular properties from full configuration interaction quantum Monte CarloRobert E Thomas, Daniel Opalka, Catherine Overy, et al.
The Journal of Physical Chemistry. A|December 4, 2018
An Extended Computational Study of Criegee Intermediate-Alcohol ReactionsNathan A I Watson, Joshua A Black, Thomas M Stonelake, et al.
Science (New York, N.Y.)|January 25, 2003
High-accuracy ab initio rotation-vibration transitions for waterOleg L Polyansky, Attila G Császár, Sergei V Shirin, et al.
Pageof 4