Spectroscopic Studies and Vibrational Assignments, Homo- Lumo, UV-VIS, NBO Analysis of Benzonitrile
نویسندگان
چکیده
منابع مشابه
Experimental and theoretical vibrational spectroscopic and HOMO, LUMO studies of 1,3-dimethylbarbituric acid
The Fourier transform gas phase (5000-400 cm), solid phase (4000-400 cm) infrared spectra as well as Raman spectra (3500-50 cm) of 1,3-dimethylbarbituric acid have been recorded. Quantum chemical calculations of energies, geometrical structure and vibrational wave numbers of 1,3-dimethylbarbituric acid have been made by density functional method with 6-31G(d,p) as basis set. The best level of t...
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ژورنال
عنوان ژورنال: International Journal of ChemTech Research
سال: 2020
ISSN: 2455-9555,0974-4290
DOI: 10.20902/ijctr.2019.130320