James S. M. Anderson
James S. M. Anderson
Chemistry
Adresse e-mail validée de mcmaster.ca
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Perturbative perspectives on the chemical reaction prediction problem
PW Ayers, JSM Anderson, LJ Bartolotti
International Journal of Quantum Chemistry 101 (5), 520-534, 2005
4332005
Indices for predicting the quality of leaving groups
PW Ayers, JSM Anderson, JI Rodriguez, Z Jawed
Physical Chemistry Chemical Physics 7 (9), 1918-1925, 2005
1322005
Conceptual density-functional theory for general chemical reactions, including those that are neither charge-nor frontier-orbital-controlled. 1. Theory and derivation of a …
JSM Anderson, J Melin, PW Ayers
Journal of chemical theory and computation 3 (2), 358-374, 2007
1202007
How ambiguous is the local kinetic energy?
JSM Anderson, PW Ayers, JIR Hernandez
The Journal of Physical Chemistry A 114 (33), 8884-8895, 2010
1022010
Conceptual density-functional theory for general chemical reactions, including those that are neither charge-nor frontier-orbital-controlled. 2. Application to molecules where …
JSM Anderson, J Melin, PW Ayers
Journal of chemical theory and computation 3 (2), 375-389, 2007
862007
Chem
JS Anderson
Eng Sci, 1970
511970
Predicting the reactivity of ambidentate nucleophiles and electrophiles using a single, general-purpose, reactivity indicator
JSM Anderson, PW Ayers
Physical Chemistry Chemical Physics 9 (19), 2371-2378, 2007
362007
In pursuit of negative Fukui functions: examples where the highest occupied molecular orbital fails to dominate the chemical reactivity
E Echegaray, C Cárdenas, S Rabi, N Rabi, S Lee, FH Zadeh, ...
Journal of molecular modeling 19 (7), 2779-2783, 2013
322013
Relationships between the third-order reactivity indicators in chemical density-functional theory
C Cárdenas, E Echegaray, D Chakraborty, JSM Anderson, PW Ayers
The Journal of chemical physics 130 (24), 244105, 2009
312009
The Ehrenfest force topology: a physically intuitive approach for analyzing chemical interactions
JR Maza, S Jenkins, SR Kirk, JSM Anderson, PW Ayers
Physical Chemistry Chemical Physics 15 (41), 17823-17836, 2013
272013
Quantum theory of atoms in molecules: results for the SR-ZORA Hamiltonian
JSM Anderson, PW Ayers
The Journal of Physical Chemistry A 115 (45), 13001-13006, 2011
242011
The second-order reduced density matrix method and the two-dimensional Hubbard model
JSM Anderson, M Nakata, R Igarashi, K Fujisawa, M Yamashita
Computational and Theoretical Chemistry 1003, 22-27, 2013
172013
In pursuit of negative Fukui functions: molecules with very small band gaps
E Echegaray, S Rabi, C Cárdenas, FH Zadeh, N Rabi, S Lee, ...
Journal of molecular modeling 20 (3), 1-7, 2014
162014
Predicting the quality of leaving groups in organic chemistry: tests against experimental data
JSM Anderson, Y Liu, JW Thomson, PW Ayers
Journal of Molecular Structure: THEOCHEM 943 (1-3), 168-177, 2010
162010
A physically motivated sparse cubature scheme with applications to molecular density-functional theory
JI Rodriguez, DC Thompson, JSM Anderson, JW Thomson, PW Ayers
Journal of Physics A: Mathematical and Theoretical 41 (36), 365202, 2008
122008
On the size-consistency of the reduced-density-matrix method and the unitary invariant diagonal N-representability conditions
M Nakata, JSM Anderson
AIP advances 2 (3), 032125, 2012
112012
Relativistic (SR‐ZORA) quantum theory of atoms in molecules properties
JSM Anderson, JI Rodríguez, PW Ayers, AW Götz
Journal of computational chemistry 38 (2), 81-86, 2017
92017
Kinetic and electron-electron energies for convex sums of ground state densities with degeneracies and fractional electron number
M Levy, JSM Anderson, FH Zadeh, PW Ayers
The Journal of chemical physics 140 (18), 164902, 2014
82014
Junia Melin, and Paul W. Ayers,“Conceptual Density-Functional Theory for General Chemical Reactions, Including Those That Are Neither Charge Nor Frontier-Orbital Controlled. II …
JSM Anderson
J. Chem. Th. Comp 3, 358-374, 2007
82007
Molecular QTAIM Topology Is Sensitive to Relativistic Corrections
JSM Anderson, JI Rodríguez, PW Ayers, DE Trujillo‐González, AW Götz, ...
Chemistry–A European Journal 25 (10), 2538-2544, 2019
72019
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