Open AccessAb initio and density functional theory studies on vibrational spectra of 3-{[(4-methoxyphenyl)methylene]amino}-2-phenylquinazolin-4(3H)-one
Author(s) -
C. Yohannan Panicker,
Hema Tresa Varghese,
K.R. Ambujakshan,
Samuel Mathew,
Subarna Ganguli,
Ashis Kumar Nanda,
C. Van Alsenoy,
Sheena Mary Yohannan
Publication year - 2010
Publication title -
european journal of chemistry
Language(s) - English
Resource type - Journals
eISSN - 2153-2257
pISSN - 2153-2249
DOI - 10.5155/eurjchem.1.1.37-43.10
Subject(s) - hyperpolarizability , chemistry , density functional theory , methylene , basis set , raman spectroscopy , ab initio , computational chemistry , molecular vibration , molecular physics , infrared , ab initio quantum chemistry methods , infrared spectroscopy , normal mode , spectral line , molecule , optics , organic chemistry , physics , quantum mechanics , polarizability , vibration