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Vibronic-spectrum calculation for methyl derivatives of glyoxal and pyrimidine

โœ Scribed by V. I. Baranov; G. N. Ten


Publisher
Springer US
Year
1990
Tongue
English
Weight
383 KB
Volume
52
Category
Article
ISSN
0021-9037

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High-level ab initio calculations were performed at the restricted Hartree-Fock (RHF) level of theory on carbazole and its N-methyl and N-ethyl derivatives. Single-point gauge-invariant atomic orbitals (SP GIAO) RHF NMR calculations on ab initio RHF optimized geometries were performed. The 6-31G\* a