Open AccessOn the Effects of Doubly Excited Configurations in Semi-Empirical Molecular Orbital Calculations on Non-Alternant Hydrocarbons
Author(s) -
Hiroshi Kashiwagi
Publication year - 1971
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.44.624
Subject(s) - chemistry , excited state , molecular orbital , computational chemistry , atomic physics , molecule , organic chemistry , physics
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