Nucleophilicity Index Based on Atomic Natural Orbitals
Joint Authors
Mrozek, Janusz
Szczepanik, Dariusz W.
Source
Issue
Vol. 2013, Issue 2013 (31 Dec. 2013), pp.1-6, 6 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2013-09-19
Country of Publication
Egypt
No. of Pages
6
Main Subjects
Abstract EN
A simple method of evaluating a semilocal (regional) nucleophilicity is introduced.
The concept involves use of the natural orbitals for atomic populations to identify the most “reactive population” of electrons on particular atom in molecule.
The results of test calculations considering the regioselectivity problem in electrophilic aromatic substitution to the benzene derivatives are presented and briefly discussed.
American Psychological Association (APA)
Szczepanik, Dariusz W.& Mrozek, Janusz. 2013. Nucleophilicity Index Based on Atomic Natural Orbitals. Journal of Chemistry،Vol. 2013, no. 2013, pp.1-6.
https://search.emarefa.net/detail/BIM-490317
Modern Language Association (MLA)
Szczepanik, Dariusz W.& Mrozek, Janusz. Nucleophilicity Index Based on Atomic Natural Orbitals. Journal of Chemistry No. 2013 (2013), pp.1-6.
https://search.emarefa.net/detail/BIM-490317
American Medical Association (AMA)
Szczepanik, Dariusz W.& Mrozek, Janusz. Nucleophilicity Index Based on Atomic Natural Orbitals. Journal of Chemistry. 2013. Vol. 2013, no. 2013, pp.1-6.
https://search.emarefa.net/detail/BIM-490317
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-490317
