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• W2095700073 abstract "A simple method of evaluating a semilocal (regional) nucleophilicity is introduced. The concept involves use of the natural orbitals for atomic populations to identify the most “reactive population” of electrons on particular atom in molecule. The results of test calculations considering the regioselectivity problem in electrophilic aromatic substitution to the benzene derivatives are presented and briefly discussed." @default.
• W2095700073 created "2016-06-24" @default.
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• W2095700073 creator A5061468896 @default.
• W2095700073 date "2013-01-01" @default.
• W2095700073 modified "2023-09-26" @default.
• W2095700073 title "Nucleophilicity Index Based on Atomic Natural Orbitals" @default.
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• W2095700073 doi "https://doi.org/10.1155/2013/684134" @default.
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