Vibration spectroscopic analysis and quantum chemical calculation of thymine

Vibration spectroscopic analysis and quantum chemical calculation of thymine

In this paper,Raman and IR spectra of thymine(Th) were measured respectively in this paper.Molecular structure of Th was optimized and it’s Raman and IR bands were calculated using B3LYP/6-311G(contain Density functional theory,DFT) method.It was found that the calculated values match well with the...

Full description

Bibliographic Details
Main Authors: FU Yichen, XUE Liang, XU Jinting, ZHANG Xiaobo, GUO Xiaoyu, YANG Haifeng
Format: Article
Language:English
Published: Academic Journals Center of Shanghai Normal University 2014-02-01
Series:Journal of Shanghai Normal University (Natural Sciences)
Subjects:
thymine
raman spectrum
infrared spectrum
quantum chemistry
Online Access:http://qktg.shnu.edu.cn/zrb/shsfqkszrb/ch/reader/create_pdf.aspx?file_no=201401012&flag=1&year_id=2014&quarter_id=1

Internet

http://qktg.shnu.edu.cn/zrb/shsfqkszrb/ch/reader/create_pdf.aspx?file_no=201401012&flag=1&year_id=2014&quarter_id=1

Similar Items