Open AccessComparison of Molecular Structures with DFT and HF of Isoxazoline and Isoxazolidine
Author(s) -
Yesim S. Kara,
Art Faculty
Publication year - 2013
Publication title -
asian journal of chemistry/asian journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.145
H-Index - 34
eISSN - 0975-427X
pISSN - 0970-7077
DOI - 10.14233/ajchem.2013.14683
Subject(s) - electronegativity , chemistry , density functional theory , homo/lumo , ab initio , computational chemistry , molecule , molecular orbital , basis set , electronic structure , band gap , chemical physics , organic chemistry , materials science , optoelectronics