Molecular acidity : An accurate description with information-theoretic approach in density functional reactivity theory

© 2017 Wiley Periodicals, Inc.

Détails bibliographiques
Publié dans:Journal of computational chemistry. - 1984. - 39(2018), 2 vom: 15. Jan., Seite 117-129
Auteur principal: Cao, Xiaofang (Auteur)
Autres auteurs: Rong, Chunying, Zhong, Aiguo, Lu, Tian, Liu, Shubin
Format: Article en ligne
Langue:English
Publié: 2018
Accès à la collection:Journal of computational chemistry
Sujets:Journal Article Research Support, Non-U.S. Gov't Density functional theory Information theory Molecular acidity Molecular electrostatic potential Natural atomic orbital