Remarks on the concept of an atom in a molecule and on charge transfer between atoms on molecule formation
Author:
Publisher
Wiley
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics
Reference12 articles.
1. Electronegativity: The density functional viewpoint
2. The electronic chemical potential and the H atom in the H2 molecule
3. An atoms in molecules approach to density functional theory
4. Absolute hardness: companion parameter to absolute electronegativity
5. QUANTUM-THERMODYNAMIC DEFINITION OF ELECTRONEGATIVITY
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2. Eliminating symmetry problems in electronegativity equalization and correcting self-interaction errors in conceptual DFT;Journal of Computational Chemistry;2018-08-24
3. Quantum-mechanical definition of atoms and their mutual interactions in Born-Oppenheimer molecules;Physical Review A;2018-07-18
4. On the performance of ruthenium dyes in dye sensitized solar cells: a free cluster approach based on theoretical indexes;Journal of Molecular Modeling;2016-04-30
5. Symmetry Laws Improve Electronegativity Equalization by Orders of Magnitude and Call for a Paradigm Shift in Conceptual Density Functional Theory;The Journal of Physical Chemistry A;2014-11-06
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