Comparing Study of The Stability and spectral properties vibrations for some Tellurium (IV) compounds containing cycloctadienyl group by Quantum Mechanical Calculations
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...
שמור ב:
| מחבר ראשי: | |
|---|---|
| פורמט: | Artigo |
| שפה: | Inglês |
| יצא לאור: |
University of Baghdad, College of Science for Women
2013-09-01
|
| סדרה: | مجلة بغداد للعلوم |
| נושאים: | |
| גישה מקוונת: | http://bsj.uobaghdad.edu.iq/index.php/BSJ/article/view/2615 |
| תגים: |
אין תגיות, היה/י הראשונ/ה לתייג את הרשומה!
|