Study of Spectral and thermal properties of Selenium Diatomic Halides by Semi-empirical Treatment
Baghdad Science Journal
View Archive Info| Field | Value | |
| Title |
Study of Spectral and thermal properties of Selenium Diatomic Halides by Semi-empirical Treatment
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| Creator |
Journal, Baghdad Science
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| Description |
The spectroscopic properties, potential energy curve, dipole moments, total charge density, Electrostatic potential as well as the thermodynamic properties of selenium diatomic halides have been studied using code Mopac.7.21 and hyperchem, semi-empirical molecular orbital of MNDO-method (modified neglected of differential overlap) of parameterization PM3 involving quantum mechanical semi-empirical Hamiltonian. The relevant molecular parameters like interatomic distance, bond angle, dihedral angle and net charge were also calculated.
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| Publisher |
College of Science for Women - University of Baghdad
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| Date |
2008-06-01
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| Type |
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion Peer-reviewed Article |
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| Format |
application/pdf
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| Identifier |
http://bsj.uobaghdad.edu.iq/index.php/BSJ/article/view/897
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| Source |
مجلة بغداد للعلوم; مجلد 5 عدد 2 (2008): issue 2; 273-277
Baghdad Science Journal; Vol 5 No 2 (2008): issue 2; 273-277 2411-7986 2078-8665 |
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| Language |
eng
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| Relation |
http://bsj.uobaghdad.edu.iq/index.php/BSJ/article/view/897/828
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| Rights |
Copyright (c) 2008 Baghdad Science Journal
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