QUANTUM MECHANICAL CALCULATIONS OF IR SPECTRA; REACTION ENERGIES OF C-O (R-O) THERMAL BOND RUPTURE FOR CEFUROXIME PRODRUGS
PM3 calculations were carried out for the estimation vibration frequencies, IR absorption intensities, normal coordinates and some physical properties as heat of formation, dipole moment, and ΔEHOMO-LUMO ---etc. for Cefuroxime prodrugs at its calculated equilibrium geometries. Assignment of the vibr...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
University of Anbar
2013-08-01
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| Series: | مجلة جامعة الانبار للعلوم الصرفة |
| Subjects: | |
| Online Access: | https://juaps.uoanbar.edu.iq/article_77623_571e68e3d768bb3c40cb15571139292a.pdf |