Electron localization-delocalization matrices
Auteur :
Matta, Chérif F. / Ayers, Paul W. / Cook, Ronald
Éditeur :
Springer International Publishing AG
ISBN :
9783031514326
Date de publication :
3 mai 2024
Dimensions :
23,5 x 15,5 cm
Langue :
Anglais
Pays d'origine :
Suisse
The described methods are very general and can easily be implemented for calculating various properties and parameters such as mosquito repelling activity, ionic liquid properties, local aromaticity of ring molecules, log P's, pKa's, LD50, corrosion inhibition activities, and Lewis acidities and basicities – to only name a few.