SPECTROSCOPIC AND COMPUTATIONAL STUDIES OF SOME SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THEIR METAL COMPLEXES
IBRAHIM ALI SHAABAN ALI;
Abstract
For 3,4-Dihydroxypyridine (3,4-DHP), tautomerism, conformational
stability, vibrational frequencies, electronic transition analysis
have been studied using ab initio MP2(full) and DFT B3LYP calculations
at basis sets up to 6-311+G(d,p). The results of
stability, vibrational frequencies, electronic transition analysis
have been studied using ab initio MP2(full) and DFT B3LYP calculations
at basis sets up to 6-311+G(d,p). The results of
Other data
| Title | SPECTROSCOPIC AND COMPUTATIONAL STUDIES OF SOME SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THEIR METAL COMPLEXES | Other Titles | دراسات طيـفيه وحسـابيه لبـعض مشتقات المركبـات غير متجانسة الحلقة ومتراكباتها | Authors | IBRAHIM ALI SHAABAN ALI | Keywords | SPECTROSCOPIC AND COMPUTATIONAL STUDIES OF SOME SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THEIR METAL COMPLEXES | Issue Date | 2013 | Description | For 3,4-Dihydroxypyridine (3,4-DHP), tautomerism, conformational stability, vibrational frequencies, electronic transition analysis have been studied using ab initio MP2(full) and DFT B3LYP calculations at basis sets up to 6-311+G(d,p). The results of |
Attached Files
| File | Size | Format | |
|---|---|---|---|
| 120312.pdf | 1.47 MB | Adobe PDF | View/Open |
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