Open AccessFrontier Orbitals of Fifteen C20H17(OH)3Regioisomers: Hybrid DFT B3LYP Study
Author(s) -
Seol Lee,
Ji Young Lee,
Kee Hag Lee
Publication year - 2013
Publication title -
bulletin of the korean chemical society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.237
H-Index - 59
eISSN - 1229-5949
pISSN - 0253-2964
DOI - 10.5012/bkcs.2013.34.8.2403
Subject(s) - delocalized electron , structural isomer , chemistry , molecular orbital , homo/lumo , computational chemistry , basis set , density functional theory , stereochemistry , crystallography , molecule , organic chemistry