Vibrational frequencies and structural determination of thiocyanogen
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چکیده
منابع مشابه
Vibrational frequencies and structural determinations of divinyl sulfoxide.
We present a detailed analysis of the structure and infrared spectra of divinyl sulfoxide. The vibrational frequencies of the divinyl sulfoxide molecule were analyzed using standard quantum chemical techniques. Frequencies were calculated at the MP2 and DFT levels of theory using the standard 6-311G* basis set. The molecule exists normally in a C(s) configuration. High-energy forms of divinyl s...
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ژورنال
عنوان ژورنال: Journal of Molecular Structure: THEOCHEM
سال: 2005
ISSN: 0166-1280
DOI: 10.1016/j.theochem.2004.09.046