Structural and electronic properties of (9-((2-hydroxyethoxy)-methyl)-guanine
Other Title(s)
دراسة الصفات التركيبية و الالكترونية للمركب 9-((2-هيدروكسي إيثوكسي)-ميثيل كوانين
Author
Source
Journal of Basrah Researches : Sciences
Issue
Vol. 36, Issue 6A (31 Dec. 2010)6 p.
Publisher
University of Basrah College of Education for Pure Sciences
Publication Date
2010-12-31
Country of Publication
Iraq
No. of Pages
6
Main Subjects
Abstract AR
تمت دراسة الصفات التركيبية و الإلكترونية للمركب -9 ((-2 هيدروكسي إيثوكسي)–ميثيل كوانين (أسايكلوفير) بالاعتماد على طريقة نظرية الاوربيتال الجزيئي ab initio، كما تمت دراسة التركيب الهندسي للجزيئة بطريقة ab initio على أساس طريقة هارتري–فوك MP2 (Hartree–Fock with full MP2) فضلا عن دراسة الصفات الإلكترونية للجزيئة بالاعتماد على نظرية الكثافة الوظيفية DFT (Density Functional Theory).
Abstract EN
The structural and electronic properties of (9-((2-hydroxyethoxy)-methyl)-guanine (acyclovir) have been investigated theoretically by performing ab initio molecular orbital calculation.
The geometry of the molecule has been optimized by ab initio restricted Hartree – Fock with including full MP2 correlation correction, and the electronic properties of the molecule have been calculated by density functional theory in its ground state.
American Psychological Association (APA)
Tahir, Baqir Abd al-Wahhab. 2010. Structural and electronic properties of (9-((2-hydroxyethoxy)-methyl)-guanine. Journal of Basrah Researches : Sciences،Vol. 36, no. 6A.
https://search.emarefa.net/detail/BIM-287375
Modern Language Association (MLA)
Tahir, Baqir Abd al-Wahhab. Structural and electronic properties of (9-((2-hydroxyethoxy)-methyl)-guanine. Journal of Basrah Researches : Sciences Vol. 36, no. 6A (Dec. 2010).
https://search.emarefa.net/detail/BIM-287375
American Medical Association (AMA)
Tahir, Baqir Abd al-Wahhab. Structural and electronic properties of (9-((2-hydroxyethoxy)-methyl)-guanine. Journal of Basrah Researches : Sciences. 2010. Vol. 36, no. 6A.
https://search.emarefa.net/detail/BIM-287375
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-287375
