Proton-enhanced nuclear induction spectroscopy 13C chemical shielding anisotropy in some organic solids

✍ Scribed by A. Pines; M.G. Gibby; J.S. Waugh

Publisher: Elsevier Science
Year: 1972
Tongue: English
Weight: 307 KB
Volume: 15
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(72)80191-x

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Theoretical calculation of 13C chemical

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

✍ Isao Ando; Atsuo Nishioka; Masahiro Kondo 📂 Article 📅 1974 🏛 Elsevier Science 🌐 English ⚖ 331 KB

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.