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James S M Anderson

Showing results (1-10 of 23) with videos related to

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Journal of Computational Chemistry|May 19, 2025
Comparative Study of Predicting Radical CH Functionalization Sites in Nitrogen Heteroarenes Using a Radical General-Purpose Reactivity Indicator and the Radical Fukui FunctionYoshio Barrera, James S M Anderson
The Journal of Chemical Physics|December 20, 2023
Warning! The negative divergence of the stress-tensor does not always yield the Ehrenfest forceAiri Kawasaki, James S M Anderson
Journal of Computational Chemistry|February 1, 2024
Does the radical GPRI strongly depend on the population scheme? A comparative study to predict radical attack on unsaturated molecules with the radical general-purpose reactivity indicatorYoshio Barrera, James S M Anderson
Physical Chemistry Chemical Physics : PCCP|May 12, 2007
Predicting the reactivity of ambidentate nucleophiles and electrophiles using a single, general-purpose, reactivity indicatorJames S M Anderson, Paul W Ayers
The Journal of Physical Chemistry. A|October 21, 2011
Quantum theory of atoms in molecules: results for the SR-ZORA HamiltonianJames S M Anderson, Paul W Ayers
Journal of Computational Chemistry|January 10, 2018
The general setting for the zero-flux condition: The lagrangian and zero-flux conditions that give the heisenberg equation of motionJames S M Anderson, Paul W Ayers
Journal of Chemical Theory and Computation|December 5, 2015
Conceptual Density-Functional Theory for General Chemical Reactions, Including Those That Are Neither Charge- nor Frontier-Orbital-Controlled. 2. Application to Molecules Where Frontier Molecular Orbital Theory FailsJames S M Anderson, Junia Melin, Paul W Ayers
Journal of Molecular Modeling|February 18, 2016
Using the general-purpose reactivity indicator: challenging examplesJames S M Anderson, Junia Melin, Paul W Ayers
Journal of Chemical Theory and Computation|December 5, 2015
Conceptual Density-Functional Theory for General Chemical Reactions, Including Those That Are Neither Charge- nor Frontier-Orbital-Controlled. 1. Theory and Derivation of a General-Purpose Reactivity IndicatorJames S M Anderson, Junia Melin, Paul W Ayers
Environment International|December 30, 2023
Bioaccumulative chemicals are either too hard or too soft: Conceptual density functional theory as a screening tool for emerging pollutantsXiaolei Li, James S M Anderson, Karl J Jobst
Pageof 3

Showing results (1-10 of 23) with videos related to

Sort By:
Pageof 3
Journal of Computational Chemistry|May 19, 2025
Comparative Study of Predicting Radical CH Functionalization Sites in Nitrogen Heteroarenes Using a Radical General-Purpose Reactivity Indicator and the Radical Fukui FunctionYoshio Barrera, James S M Anderson
The Journal of Chemical Physics|December 20, 2023
Warning! The negative divergence of the stress-tensor does not always yield the Ehrenfest forceAiri Kawasaki, James S M Anderson
Journal of Computational Chemistry|February 1, 2024
Does the radical GPRI strongly depend on the population scheme? A comparative study to predict radical attack on unsaturated molecules with the radical general-purpose reactivity indicatorYoshio Barrera, James S M Anderson
Physical Chemistry Chemical Physics : PCCP|May 12, 2007
Predicting the reactivity of ambidentate nucleophiles and electrophiles using a single, general-purpose, reactivity indicatorJames S M Anderson, Paul W Ayers
The Journal of Physical Chemistry. A|October 21, 2011
Quantum theory of atoms in molecules: results for the SR-ZORA HamiltonianJames S M Anderson, Paul W Ayers
Journal of Computational Chemistry|January 10, 2018
The general setting for the zero-flux condition: The lagrangian and zero-flux conditions that give the heisenberg equation of motionJames S M Anderson, Paul W Ayers
Journal of Chemical Theory and Computation|December 5, 2015
Conceptual Density-Functional Theory for General Chemical Reactions, Including Those That Are Neither Charge- nor Frontier-Orbital-Controlled. 2. Application to Molecules Where Frontier Molecular Orbital Theory FailsJames S M Anderson, Junia Melin, Paul W Ayers
Journal of Molecular Modeling|February 18, 2016
Using the general-purpose reactivity indicator: challenging examplesJames S M Anderson, Junia Melin, Paul W Ayers
Journal of Chemical Theory and Computation|December 5, 2015
Conceptual Density-Functional Theory for General Chemical Reactions, Including Those That Are Neither Charge- nor Frontier-Orbital-Controlled. 1. Theory and Derivation of a General-Purpose Reactivity IndicatorJames S M Anderson, Junia Melin, Paul W Ayers
Environment International|December 30, 2023
Bioaccumulative chemicals are either too hard or too soft: Conceptual density functional theory as a screening tool for emerging pollutantsXiaolei Li, James S M Anderson, Karl J Jobst
Pageof 3