Open AccessPredictions of Molecular Geometries and Electronic Spectra of Complex Unsaturated Molecules from MC-LCAO-MO Method. II. 1,3-Butadiene and Cyclobutadiene
Author(s) -
Mitsunobu Nakayama,
Moriyuki Nishihira,
Yasumasa J. I’Haya
Publication year - 1976
Publication title -
bulletin of the chemical society of japan
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.145
H-Index - 99
eISSN - 1348-0634
pISSN - 0009-2673
DOI - 10.1246/bcsj.49.1502
Subject(s) - cyclobutadiene , chemistry , singlet state , linear combination of atomic orbitals , molecular orbital , degenerate energy levels , computational chemistry , atomic orbital , ground state , triplet state , excited state , spectral line , electronic structure , atomic physics , molecular physics , molecule , quantum mechanics , physics , electron , organic chemistry
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