Towards a physical interpretation of substituent effect: Quantum chemical interpretation of Hammett substituent constants

Varaksin, KS; Szatylowicz, H; Krygowski, TM

Varaksin, KS (reprint author), Transneft West Siberia JSC, Omsk Reg Oil Pipeline Dept, Neftianoy Lane 18, Omsk 644040, Russia.; Szatylowicz, H (reprint author), Warsaw Univ Technol, Fac Chem, Noakowskiego 3, PL-00664 Warsaw, Poland.

JOURNAL OF MOLECULAR STRUCTURE, 2017; 1137 ( ): 581

Abstract

Quantitative description of substituent effects is of a great importance especially in organic chemistry and QSAR-type treatments. The proposed approa......

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