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Electronic Structure and Physical-Chemistry Property Relationship for Oxazole Derivatives by Ab Initio and DFT Methods
Joint Authors
Mellaoui, Malika
Belaidi, Salah
Source
Organic Chemistry International
Issue
Vol. 2011, Issue 2011 (31 Dec. 2011), pp.1-7, 7 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2011-09-12
Country of Publication
Egypt
No. of Pages
7
Main Subjects
Abstract EN
The geometric, electronic structure, effect of the substitution, and structure physical-chemistry relationship for oxazoles derivatives have been studied by ab initio and DFT theory.
In the present work, the calculated values, namely, net charges, bond lengths, dipole moments, electron affinities, heats of formation, and QSAR properties are reported and discussed in terms of the reactivity of oxazole derivatives.
American Psychological Association (APA)
Belaidi, Salah& Mellaoui, Malika. 2011. Electronic Structure and Physical-Chemistry Property Relationship for Oxazole Derivatives by Ab Initio and DFT Methods. Organic Chemistry International،Vol. 2011, no. 2011, pp.1-7.
https://search.emarefa.net/detail/BIM-457723
Modern Language Association (MLA)
Belaidi, Salah& Mellaoui, Malika. Electronic Structure and Physical-Chemistry Property Relationship for Oxazole Derivatives by Ab Initio and DFT Methods. Organic Chemistry International No. 2011 (2011), pp.1-7.
https://search.emarefa.net/detail/BIM-457723
American Medical Association (AMA)
Belaidi, Salah& Mellaoui, Malika. Electronic Structure and Physical-Chemistry Property Relationship for Oxazole Derivatives by Ab Initio and DFT Methods. Organic Chemistry International. 2011. Vol. 2011, no. 2011, pp.1-7.
https://search.emarefa.net/detail/BIM-457723
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-457723