Analysis of methyl ester suffocation using density functional theory at b3 lyp/6-31g(d) level
نویسندگان
چکیده
منابع مشابه
NBO analysis and vibrational spectra of 2,6-bis(p-methyl benzylidene cyclohexanone) using density functional theory.
Vibrational analysis of the 2,6-bis(p-methyl benzylidene cyclohexanone) [PMBC] compound was carried out by using NIR FT-Raman and FT-IR spectroscopic techniques. The equilibrium geometry, various bonding features and harmonic vibrational frequencies of PMBC have been investigated with the help of B3LYP/6-31 G(d) density functional theory method. The optimized geometry clearly demonstrates cyclo...
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ژورنال
عنوان ژورنال: Publicaciones e Investigación
سال: 2009
ISSN: 2539-4088,1900-6608
DOI: 10.22490/25394088.566