A1 Refereed original research article in a scientific journal

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

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

Publication year: 2012

Journal: Computational and Theoretical Chemistry

Volume: 981

First page : 52

Last page: 58

Number of pages: 7

ISSN: 2210-271X

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