Taft equation in the light of NBO computations. Introduction of a novel polar computational substituent constant scale σq for alkyl groups

: Kari Neuvonen, Helmi Neuvonen, Andreas Koch, Erich Kleinpeter

: 2012

 Computational and Theoretical Chemistry

: 981

: 52

: 58

: 7

: 2210-271X

DOI: https://doi.org/10.1016/j.comptc.2011.11.044