Atomic Charges via Electronegativity Equalization: Generalizations and Perspectives
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Elsevier
Reference69 articles.
1. Electronic population analysis on LCAO–MO molecular wave functions, I;Mulliken;J. Chem. Phys.,1955
2. On the non-orthogonality problem;Löwdin;Adv. Quantum Chem.,1970
3. Natural population analysis;Reed;J. Chem. Phys.,1985
4. Atoms in Molecules: A Quantum Theory;Bader,1990
5. Determination of partial atomic charges from ab initio molecular electrostatic potentials. Application to formamide, methanol, and formic acid;Momany;J. Phys. Chem.,1978
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