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The Journal of Physical Chemistry. A
|
April 10, 2009
NO bonding to heme groups: DFT and correlated ab initio calculations
Julianna Oláh, Jeremy N Harvey
Chemical Society Reviews
|
February 25, 2003
Spin forbidden chemical reactions of transition metal compounds. New ideas and new computational challenges
Rinaldo Poli, Jeremy N Harvey
Physical Chemistry Chemical Physics : PCCP
|
January 31, 2019
EVB and polarizable MM study of energy relaxation in fluorine-acetonitrile reactions
Xiaoyong Zhang, Jeremy N Harvey
Nature Chemistry
|
December 19, 2012
Spin states: discussion of an open problem
Miquel Costas, Jeremy N Harvey
Chimia
|
June 21, 2020
Computational Chemistry and Non-noble Metal-catalyzed Cross-coupling Reaction Mechanisms
Jeremy N Harvey, Andrea Darù
Faraday Discussions
|
October 7, 2003
Modelling spin-forbidden reactions: recombination of carbon monoxide with iron tetracarbonyl
Jeremy N Harvey, Massimiliano Aschi
The Journal of Physical Chemistry. A
|
May 21, 2021
On the Use of Normalized Metrics for Density Sensitivity Analysis in DFT
Carlos Martín-Fernández, Jeremy N Harvey
Journal of Chemical Theory and Computation
|
October 15, 2025
Conformational Analysis of Macrocyclic Compounds Using a Machine-Learned Interatomic Potential
Hani M Hashim, Jeremy N Harvey
Physical Chemistry Chemical Physics : PCCP
|
January 31, 2024
Exploration of biochemical reactivity with a QM/MM growing string method
Neil R McFarlane, Jeremy N Harvey
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
August 21, 2018
Computational Modelling of Selectivity in Cobalt-Catalyzed Propene Hydroformylation
Ewa N Szlapa, Jeremy N Harvey
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of 20
Search research articles
Search
Showing results (11-20 of 195) with videos related to
Sort By:
Page
of 20
The Journal of Physical Chemistry. A
|
April 10, 2009
NO bonding to heme groups: DFT and correlated ab initio calculations
Julianna Oláh, Jeremy N Harvey
Chemical Society Reviews
|
February 25, 2003
Spin forbidden chemical reactions of transition metal compounds. New ideas and new computational challenges
Rinaldo Poli, Jeremy N Harvey
Physical Chemistry Chemical Physics : PCCP
|
January 31, 2019
EVB and polarizable MM study of energy relaxation in fluorine-acetonitrile reactions
Xiaoyong Zhang, Jeremy N Harvey
Nature Chemistry
|
December 19, 2012
Spin states: discussion of an open problem
Miquel Costas, Jeremy N Harvey
Chimia
|
June 21, 2020
Computational Chemistry and Non-noble Metal-catalyzed Cross-coupling Reaction Mechanisms
Jeremy N Harvey, Andrea Darù
Faraday Discussions
|
October 7, 2003
Modelling spin-forbidden reactions: recombination of carbon monoxide with iron tetracarbonyl
Jeremy N Harvey, Massimiliano Aschi
The Journal of Physical Chemistry. A
|
May 21, 2021
On the Use of Normalized Metrics for Density Sensitivity Analysis in DFT
Carlos Martín-Fernández, Jeremy N Harvey
Journal of Chemical Theory and Computation
|
October 15, 2025
Conformational Analysis of Macrocyclic Compounds Using a Machine-Learned Interatomic Potential
Hani M Hashim, Jeremy N Harvey
Physical Chemistry Chemical Physics : PCCP
|
January 31, 2024
Exploration of biochemical reactivity with a QM/MM growing string method
Neil R McFarlane, Jeremy N Harvey
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
August 21, 2018
Computational Modelling of Selectivity in Cobalt-Catalyzed Propene Hydroformylation
Ewa N Szlapa, Jeremy N Harvey
Page
of 20