Open AccessCalculation of the Electronic Structure of Cinnamic Acid by the Semi-empirical LCAO-SCF-MO Method
Author(s) -
Kenichiro Nakamura,
Shinichi Kikuchi
Publication year - 1967
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.40.1027
Subject(s) - chemistry , cinnamic acid , isomerization , linear combination of atomic orbitals , excited state , bond order , computational chemistry , photochemistry , electronic structure , ground state , bond length , crystallography , atomic physics , density functional theory , organic chemistry , catalysis , crystal structure , basis set , physics
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