Study the pollutants chlorophenols : electronic and physical properties relationship
Other Title(s)
دراسة الملوثات الكلوروفينولية : علاقة الخواص الإلكترونية و الفيزيائية
Joint Authors
al-Ani, Rana R.
al-Amiri, Ahmad A.
al-Majdi, Yasamin K.
Kamil, Furqan
al-Ubaydi, Abd al-Hamid Muhammad Jawad
Source
Engineering and Technology Journal
Issue
Vol. 34, Issue 3B (31 Mar. 2016), pp.349-357, 9 p.
Publisher
Publication Date
2016-03-31
Country of Publication
Iraq
No. of Pages
9
Main Subjects
Abstract EN
Geometrical optimization and electronic structure of chlorophenols were researched by DFT (B3LYP) utilizing a 3-21G basis set.
We have likewise researched the aggregate electronic properties, Highest occupied molecular orbital (HOMO), lowest unoccupied molecular orbital (LUMO) and energy gap.
The calculated HOMO and LUMO energies demonstrate that charge transfer occurs within the molecule.
American Psychological Association (APA)
al-Ubaydi, Abd al-Hamid Muhammad Jawad& al-Amiri, Ahmad A.& al-Ani, Rana R.& al-Majdi, Yasamin K.& Kamil, Furqan. 2016. Study the pollutants chlorophenols : electronic and physical properties relationship. Engineering and Technology Journal،Vol. 34, no. 3B, pp.349-357.
https://search.emarefa.net/detail/BIM-728998
Modern Language Association (MLA)
al-Ubaydi, Abd al-Hamid Muhammad Jawad…[et al.]. Study the pollutants chlorophenols : electronic and physical properties relationship. Engineering and Technology Journal Vol. 34, no. 3B (2016), pp.349-357.
https://search.emarefa.net/detail/BIM-728998
American Medical Association (AMA)
al-Ubaydi, Abd al-Hamid Muhammad Jawad& al-Amiri, Ahmad A.& al-Ani, Rana R.& al-Majdi, Yasamin K.& Kamil, Furqan. Study the pollutants chlorophenols : electronic and physical properties relationship. Engineering and Technology Journal. 2016. Vol. 34, no. 3B, pp.349-357.
https://search.emarefa.net/detail/BIM-728998
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references : p. 356-357
Record ID
BIM-728998
