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Theoretical calculation of 13C chemical shielding anisotropy in some organic compounds

✍ Scribed by Isao Ando; Atsuo Nishioka; Masahiro Kondo

Publisher: Elsevier Science
Year: 1974
Tongue: English
Weight: 331 KB
Volume: 25
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(74)89120-7

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✦ Synopsis

The 13C chemical shielding anisotropies of benzene, toluene, he~~e~yl~a~ne and acetone molecules are calculated theoretically by a linear combination of gauge invariant atomic orbitals -molecular orbital theory using the MIND0 method.

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