JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol.761, pp.113-118, 2006 (Journal Indexed in SCI)
Article / Article
Title of Journal :
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
The geometry, frequency and intensity of the vibrational bands of trans 1,2-bis(4-pyridyl)ethylene (which is abbreviated as bpe) were obtained using the density functional theory (DFT) with the BLYP, B3LYP, B3PW91 functionals and 6-311G* basis set.