Farnaz Heidar-Zadeh
Farnaz Heidar-Zadeh
Department of Chemistry, Queen's University, Kingston, Canada
Adresse e-mail validée de queensu.ca - Page d'accueil
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Minimal basis iterative stockholder: atoms in molecules for force-field development
T Verstraelen, S Vandenbrande, F Heidar-Zadeh, L Vanduyfhuys, ...
Journal of Chemical Theory and Computation 12 (8), 3894-3912, 2016
Information-theoretic approaches to atoms-in-molecules: Hirshfeld family of partitioning schemes
F Heidar-Zadeh, PW Ayers, T Verstraelen, I Vinogradov, ...
The Journal of Physical Chemistry A 122 (17), 4219-4245, 2017
Nine questions on energy decomposition analysis
J Andrés, PW Ayers, RA Boto, R Carbó‐Dorca, H Chermette, J Cioslowski, ...
Journal of computational chemistry 40 (26), 2248-2283, 2019
Benchmark values of chemical potential and chemical hardness for atoms and atomic ions (including unstable anions) from the energies of isoelectronic series
C Cárdenas, F Heidar-Zadeh, PW Ayers
Physical Chemistry Chemical Physics 18 (36), 25721-25734, 2016
Chemical transferability of functional groups follows from the nearsightedness of electronic matter
S Fias, F Heidar-Zadeh, P Geerlings, PW Ayers
Proceedings of the National Academy of Sciences 114 (44), 11633-11638, 2017
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
When is the Fukui function not normalized? The danger of inconsistent energy interpolation models in density functional theory
F Heidar-Zadeh, RA Miranda-Quintana, T Verstraelen, P Bultinck, ...
Journal of chemical theory and computation 12 (12), 5777-5787, 2016
An explicit approach to conceptual density functional theory descriptors of arbitrary order
F Heidar-Zadeh, M Richer, S Fias, RA Miranda-Quintana, M Chan, ...
Chemical Physics Letters 660, 307-312, 2016
The quantum divided basins: A new class of quantum subsystems
F Heidarzadeh, S Shahbazian
International Journal of Quantum Chemistry 111 (12), 2788-2801, 2011
Horton 2.0. 1
T Verstraelen, P Tecmer, F Heidar-Zadeh, CE González-Espinoza, ...
Available at theochem. github. com/horton/. Accessed August 28, 2017, 2016
An information-theoretic resolution of the ambiguity in the local hardness
FH Zadeh, P Fuentealba, C Cárdenas, PW Ayers
Physical Chemistry Chemical Physics 16 (13), 6019-6026, 2014
The quantum theory of atoms in positronic molecules: the subsystem variational procedure
F Heidar Zadeh, S Shahbazian
International Journal of Quantum Chemistry 111 (9), 1999-2013, 2011
Going beyond the three-state ensemble model: the electronic chemical potential and Fukui function for the general case
M Franco-Pérez, F Heidar-Zadeh, PW Ayers, JL Gázquez, A Vela
Physical Chemistry Chemical Physics 19 (18), 11588-11602, 2017
Toward a fuzzy atom view within the context of the quantum theory of atoms in molecules: quasi-atoms
FH Zadeh, S Shahbazian
Theoretical Chemistry Accounts 128 (2), 175-181, 2011
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
Elementary derivation of the “| Δμ| big is good” rule
RA Miranda-Quintana, F Heidar-Zadeh, PW Ayers
The journal of physical chemistry letters 9 (15), 4344-4348, 2018
Horton 2.0. 0, 2015
T Verstraelen, K Boguslawski, P Tecmer, F Heidar-Zadeh, M Chan, ...
Accessed: January 25, 2018
How pervasive is the Hirshfeld partitioning?
F Heidar-Zadeh, PW Ayers
The Journal of chemical physics 142 (4), 044107, 2015
Deriving the Hirshfeld partitioning using distance metrics
F Heidar-Zadeh, PW Ayers, P Bultinck
The Journal of chemical physics 141 (9), 094103, 2014
Hirshfeld partitioning from non-extensive entropies
F Heidar-Zadeh, I Vinogradov, PW Ayers
Theoretical Chemistry Accounts 136 (4), 54, 2017
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