标题: Simulation of IR and Raman spectra based on scaled DFT force fields: a case study of 2-(methylthio)benzonitrile, with emphasis on band assignment 作者: Krishnakumar V, Keresztury G, Sundius T, et al. 来源出版物: JOURNAL OF MOLECULAR STRUCTURE 卷: 702 期: 1-3 页: 9-21 出版年: SEP 27 2004