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Entropy (Basel, Switzerland)
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March 28, 2026
The Scaled Hirshfeld Partitioning: Mathematical Development and Information-Theoretic Foundation
Farnaz Heidar-Zadeh
The Journal of Physical Chemistry Letters
|
March 2, 2026
Reverse Engineering Atomic Densities for Charge Model 5 (CM5) to Compute Atomic Properties Beyond Charges
Farnaz Heidar-Zadeh, Omid Hosseinzadeh
The Journal of Chemical Physics
|
February 2, 2015
How pervasive is the Hirshfeld partitioning?
Farnaz Heidar-Zadeh, Paul W Ayers
The Journal of Chemical Physics
|
August 19, 2024
CuGBasis: High-performance CUDA/Python library for efficient computation of quantum chemistry density-based descriptors for larger systems
Alireza Tehrani, Michelle Richer, Farnaz Heidar-Zadeh
Journal of Molecular Modeling
|
November 23, 2017
Fractional nuclear charge approach to isolated anion densities for Hirshfeld partitioning methods
Farnaz Heidar-Zadeh, Paul W Ayers, Patrick Bultinck
Physical Chemistry Chemical Physics : PCCP
|
October 7, 2016
Benchmark values of chemical potential and chemical hardness for atoms and atomic ions (including unstable anions) from the energies of isoelectronic series
Carlos Cárdenas, Farnaz Heidar-Zadeh, Paul W Ayers
The Journal of Chemical Physics
|
September 8, 2014
Deriving the Hirshfeld partitioning using distance metrics
Farnaz Heidar-Zadeh, Paul W Ayers, Patrick Bultinck
Journal of Chemical Theory and Computation
|
February 14, 2025
Nonbonded Force Field Parameters Derived from Atoms-in-Molecules Methods Reproduce Interactions in Proteins from First-Principles
Carlos Castillo-Orellana, Farnaz Heidar-Zadeh, Esteban Vöhringer-Martinez
The Journal of Physical Chemistry. A
|
April 10, 2026
Systematic Testing of the Maximum Hardness and Minimum Electrophilicity Principles
Abdul Rahman Al Nabulsi, Farnaz Heidar-Zadeh, PaulPaul W Ayers
Physical Chemistry Chemical Physics : PCCP
|
February 21, 2014
An information-theoretic resolution of the ambiguity in the local hardness
Farnaz Heidar Zadeh, Patricio Fuentealba, Carlos Cárdenas, et al.
Page
of 6
Search research articles
Search
Showing results (1-10 of 53) with videos related to
Sort By:
Page
of 6
Entropy (Basel, Switzerland)
|
March 28, 2026
The Scaled Hirshfeld Partitioning: Mathematical Development and Information-Theoretic Foundation
Farnaz Heidar-Zadeh
The Journal of Physical Chemistry Letters
|
March 2, 2026
Reverse Engineering Atomic Densities for Charge Model 5 (CM5) to Compute Atomic Properties Beyond Charges
Farnaz Heidar-Zadeh, Omid Hosseinzadeh
The Journal of Chemical Physics
|
February 2, 2015
How pervasive is the Hirshfeld partitioning?
Farnaz Heidar-Zadeh, Paul W Ayers
The Journal of Chemical Physics
|
August 19, 2024
CuGBasis: High-performance CUDA/Python library for efficient computation of quantum chemistry density-based descriptors for larger systems
Alireza Tehrani, Michelle Richer, Farnaz Heidar-Zadeh
Journal of Molecular Modeling
|
November 23, 2017
Fractional nuclear charge approach to isolated anion densities for Hirshfeld partitioning methods
Farnaz Heidar-Zadeh, Paul W Ayers, Patrick Bultinck
Physical Chemistry Chemical Physics : PCCP
|
October 7, 2016
Benchmark values of chemical potential and chemical hardness for atoms and atomic ions (including unstable anions) from the energies of isoelectronic series
Carlos Cárdenas, Farnaz Heidar-Zadeh, Paul W Ayers
The Journal of Chemical Physics
|
September 8, 2014
Deriving the Hirshfeld partitioning using distance metrics
Farnaz Heidar-Zadeh, Paul W Ayers, Patrick Bultinck
Journal of Chemical Theory and Computation
|
February 14, 2025
Nonbonded Force Field Parameters Derived from Atoms-in-Molecules Methods Reproduce Interactions in Proteins from First-Principles
Carlos Castillo-Orellana, Farnaz Heidar-Zadeh, Esteban Vöhringer-Martinez
The Journal of Physical Chemistry. A
|
April 10, 2026
Systematic Testing of the Maximum Hardness and Minimum Electrophilicity Principles
Abdul Rahman Al Nabulsi, Farnaz Heidar-Zadeh, PaulPaul W Ayers
Physical Chemistry Chemical Physics : PCCP
|
February 21, 2014
An information-theoretic resolution of the ambiguity in the local hardness
Farnaz Heidar Zadeh, Patricio Fuentealba, Carlos Cárdenas, et al.
Page
of 6