Open AccessCalculation of Directly-Bonded Nuclear Spin-Spin Coupling Constants with Localized Orbitals
Author(s) -
Kimihiko Hirao,
Hiroshi Kato
Publication year - 1977
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.50.303
Subject(s) - chemistry , atomic orbital , coupling constant , spin (aerodynamics) , coupling (piping) , localized molecular orbitals , molecular orbital , molecular physics , atomic physics , computational chemistry , linear combination of atomic orbitals , quantum mechanics , basis set , density functional theory , molecule , physics , thermodynamics , electron , organic chemistry , mechanical engineering , engineering
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