Synthesis and vibrational spectral (FT-IR, FT-Raman) studies, NLO properties & NBO analysis of (E)-N'(thiophen-2yl methylene)isonicotinohydrazide using quantum chemical method
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چکیده
منابع مشابه
Structural Analysis of Hirudin Using FT-IR and FT-Raman Spectroscopic Techniques
FT-IR and FT-Raman spectra of hirudin have been recorded from the native solid hirudin. The conformation of the molecule has been discussed on the basis of IR and Raman data. It has been concluded that hirudin molecule has a mixed a-helix and random coil conformation.
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FT-IR and FT-Raman spectra of 1-(5,5-dioxido-10H-phenothiazin-10-yl)ethanone were recorded and analyzed. The vibrational wavenumbers were computed using B3LYP/6-31G∗ and SDD basis. Potential energy distribution of normal modes of vibrations was done using GAR2PED program. The HOMO and LUMO analysis is used to determine the charge transfer within the molecule. The stability of the molecule arisi...
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Toluene, also known as methylbenzene or phenylmethane, is a clear, waterinsoluble liquid with the typical smell of paint thinners, redolent of the sweet smell of the related compound benzene. It is an aromatic hydrocarbon that is widely used as an industrial feedstock and as a solvent. Like other solvents, toluene is also used as an inhalant drug for its intoxicating properties [1,2]. Toluene r...
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ژورنال
عنوان ژورنال: International Journal of Advanced Chemistry
سال: 2018
ISSN: 2310-2977
DOI: 10.14419/ijac.v6i1.9046