Fast Calculation of Quantum Chemical Molecular Descriptors from the Electronegativity Equalization Method

Patrick Bultinck, Wilfried Langenaeker, Ramon Carbó-Dorca, Jan P. Tollenaere. Fast Calculation of Quantum Chemical Molecular Descriptors from the Electronegativity Equalization Method. Journal of Chemical Information and Computer Sciences, 43(2):422-428, 2003. [doi]

Abstract

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