M. Finjan, A., Obaid Hamza, M. (2013). Comparing Study of The Stability and spectral properties vibrations for some Tellurium (IV) compounds containing cycloctadienyl group by Quantum Mechanical Calculations. Alustath, 10(3), 1041-1049.
Abdel-Amir M. Finjan; Manal Obaid Hamza. "Comparing Study of The Stability and spectral properties vibrations for some Tellurium (IV) compounds containing cycloctadienyl group by Quantum Mechanical Calculations". Alustath, 10, 3, 2013, 1041-1049.
M. Finjan, A., Obaid Hamza, M. (2013). 'Comparing Study of The Stability and spectral properties vibrations for some Tellurium (IV) compounds containing cycloctadienyl group by Quantum Mechanical Calculations', Alustath, 10(3), pp. 1041-1049.
M. Finjan, A., Obaid Hamza, M. Comparing Study of The Stability and spectral properties vibrations for some Tellurium (IV) compounds containing cycloctadienyl group by Quantum Mechanical Calculations. Alustath, 2013; 10(3): 1041-1049.

Comparing Study of The Stability and spectral properties vibrations for some Tellurium (IV) compounds containing cycloctadienyl group by Quantum Mechanical Calculations

Baghdad Science Journal
Article 1, Volume 10, Issue 3, September 2013, Pages 1041-1049
Authors
Abdel-Amir M. Finjan; Manal Obaid Hamza
Abstract
Density Functional Theory (DFT) with B3LYP hybrid exchange-correlation functional and 3-21G basis set and semi-empirical methods (PM3) were used to calculate the energies (total energy, binding energy (Eb), molecular orbital energy (EHOMO-ELUMO), heat of formation (∆Hf)) and vibrational spectra for some Tellurium (IV) compounds containing cycloctadienyl group which can use as ligands with some transition metals or essential metals of periodic table at optimized geometrical structures.
Keywords
Tellurium; vibrational spectra; DFT; stability
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