期刊名称：IMPACT : International Journal of Research in Applied, Natural and Social Sciences
印刷版ISSN：2347-4580
电子版ISSN：2321-8851
出版年度：2014
卷号：2
期号：4
页码：179-184
语种：English
出版社：IMPACT Journals
摘要：Optimized structures for all the four possible conformers of 2-(2-hydroxyphenyl) benzothiazole have been computed using the DFT method at the B3LYP/6-311++G** level. With these optimized structures vibrational parameters have also been computed. Comparative studies of conformer dependent vibrational fundamentals have been carried out.
