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In pursuit of negative Fukui functions: examples where the highest occupied molecular orbital fails to dominate the chemical reactivity
Echegaray, Eleonora, Cárdenas, Carlos, Rabi, Sandra, Rabi, Nataly, Lee, Sungmin, Zadeh, Farnaz Heidar, Toro-Labbe, Alejandro, Anderson, James S. M., Ayers, Paul W.Volume:
19
Language:
english
Journal:
Journal of Molecular Modeling
DOI:
10.1007/s00894-012-1637-3
Date:
July, 2013
File:
PDF, 209 KB
english, 2013