Open AccessMOLECULAR ORBITAL (MO) THEORY FOR MAGNETICALLY INTERACTING ORGANIC COMPOUNDS. AB-INITIO MO CALCULATIONS OF THE EFFECTIVE EXCHANGE INTEGRALS FOR CYCLOPHANE-TYPE CARBENE DIMERS
Author(s) -
Kizashi Yamaguchi,
Hiroaki Fukui,
Takayuki Fueno
Publication year - 1986
Publication title -
chemistry letters
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.492
H-Index - 114
eISSN - 1348-0715
pISSN - 0366-7022
DOI - 10.1246/cl.1986.625
Subject(s) - chemistry , carbene , cyclophane , ab initio , computational chemistry , molecular orbital theory , molecular orbital , ground state , ab initio quantum chemistry methods , type (biology) , molecule , organic chemistry , atomic physics , physics , ecology , biology , catalysis