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The Journal of Physical Chemistry. A
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July 13, 2006
Trends in R-X bond dissociation energies (R = Me, Et, i-Pr, t-Bu; X = H, CH3, OCH3, OH, F): a surprising shortcoming of density functional theory
Ekaterina I Izgorodina, Michelle L Coote, Leo Radom
Macromolecular Rapid Communications
|
October 21, 2011
Revealing model dependencies in "Assessing the RAFT equilibrium constant via model systems: an EPR study"
Thomas Junkers, Christopher Barner-Kowollik, Michelle L Coote
Organic & Biomolecular Chemistry
|
November 13, 2010
Revising the mechanism of polymer autooxidation
Ganna Gryn'ova, Jennifer L Hodgson, Michelle L Coote
The Journal of Organic Chemistry
|
July 1, 2011
Validation of the distal effect of electron-withdrawing groups on the stability of peptide enolates and its exploitation in the controlled stereochemical inversion of amino acid derivatives
Junming Ho, Michelle L Coote, Christopher J Easton
Journal of Chemical Theory and Computation
|
December 1, 2015
Benchmark Calculations of Absolute Reduction Potential of Ferricinium/Ferrocene Couple in Nonaqueous Solutions
Mansoor Namazian, Ching Yeh Lin, Michelle L Coote
Physical Chemistry Chemical Physics : PCCP
|
August 17, 2017
Computational design of pH-switchable control agents for nitroxide mediated polymerization
Ganna Gryn'ova, Leesa M Smith, Michelle L Coote
Journal of Chemical Information and Modeling
|
November 1, 2022
Explainable Solvation Free Energy Prediction Combining Graph Neural Networks with Chemical Intuition
Kaycee Low, Michelle L Coote, Ekaterina I Izgorodina
Journal of Chemical Theory and Computation
|
February 17, 2022
Inclusion of More Physics Leads to Less Data: Learning the Interaction Energy as a Function of Electron Deformation Density with Limited Training Data
Kaycee Low, Michelle L Coote, Ekaterina I Izgorodina
The Journal of Physical Chemistry. A
|
July 1, 2017
Modeling Flexible Molecules in Solution: A pK<sub>a</sub> Case Study
Naomi L Haworth, Qinrui Wang, Michelle L Coote
Journal of Computational Chemistry
|
October 14, 2010
Intermolecular potential energy surface for CS2 dimer
Hossein Farrokhpour, Zainab Mombeini, Mansoor Namazian, et al.
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Search research articles
Search
Showing results (41-50 of 199) with videos related to
Sort By:
Page
of 20
The Journal of Physical Chemistry. A
|
July 13, 2006
Trends in R-X bond dissociation energies (R = Me, Et, i-Pr, t-Bu; X = H, CH3, OCH3, OH, F): a surprising shortcoming of density functional theory
Ekaterina I Izgorodina, Michelle L Coote, Leo Radom
Macromolecular Rapid Communications
|
October 21, 2011
Revealing model dependencies in "Assessing the RAFT equilibrium constant via model systems: an EPR study"
Thomas Junkers, Christopher Barner-Kowollik, Michelle L Coote
Organic & Biomolecular Chemistry
|
November 13, 2010
Revising the mechanism of polymer autooxidation
Ganna Gryn'ova, Jennifer L Hodgson, Michelle L Coote
The Journal of Organic Chemistry
|
July 1, 2011
Validation of the distal effect of electron-withdrawing groups on the stability of peptide enolates and its exploitation in the controlled stereochemical inversion of amino acid derivatives
Junming Ho, Michelle L Coote, Christopher J Easton
Journal of Chemical Theory and Computation
|
December 1, 2015
Benchmark Calculations of Absolute Reduction Potential of Ferricinium/Ferrocene Couple in Nonaqueous Solutions
Mansoor Namazian, Ching Yeh Lin, Michelle L Coote
Physical Chemistry Chemical Physics : PCCP
|
August 17, 2017
Computational design of pH-switchable control agents for nitroxide mediated polymerization
Ganna Gryn'ova, Leesa M Smith, Michelle L Coote
Journal of Chemical Information and Modeling
|
November 1, 2022
Explainable Solvation Free Energy Prediction Combining Graph Neural Networks with Chemical Intuition
Kaycee Low, Michelle L Coote, Ekaterina I Izgorodina
Journal of Chemical Theory and Computation
|
February 17, 2022
Inclusion of More Physics Leads to Less Data: Learning the Interaction Energy as a Function of Electron Deformation Density with Limited Training Data
Kaycee Low, Michelle L Coote, Ekaterina I Izgorodina
The Journal of Physical Chemistry. A
|
July 1, 2017
Modeling Flexible Molecules in Solution: A pK<sub>a</sub> Case Study
Naomi L Haworth, Qinrui Wang, Michelle L Coote
Journal of Computational Chemistry
|
October 14, 2010
Intermolecular potential energy surface for CS2 dimer
Hossein Farrokhpour, Zainab Mombeini, Mansoor Namazian, et al.
Page
of 20