vibrational analysis of boldine hydrochloride using qmmm approach振动分析使用qmmm boldine盐酸盐的方法.pdfVIP

Spectroscopy 24 (2010) 483–499 483 DOI 10.3233/SPE-2010-0463 IOS Press Vibrational analysis of boldine hydrochloride using QM/MM approach Neeraj Misra a,∗, Shamoon Ahmad Siddiqui b , Ruby Srivastava a , Anoop Kumar Pandey a and Sudha Jain c a Department of Physics, Lucknow University, Lucknow, India b Molecular Biophysics Unit, Indian institute of Science, Bangalore, India c Department of Chemistry, Lucknow University, Lucknow, India Abstract. A complete vibrational analysis was performed on