Ab initio IGLO (individual gauge for localized molecular orbital) methods of SCF-MO theory were used to extend studies of the conformational dependences of isotropic 13C NMR chemical shifts to n-hexane and three 1-substituted pentanes (X \ CN, OH, F). Isotropic shifts were obtained as a func-XCH 2 C
Substituent effects on C-13 chemical shift of the side-chain Cα-atom in substituion benzenes. through-space interaction in meta-series and hybridization effect
✍ Scribed by Naoki Inamoto; Shozo Masuda; Kazuo Tori; Yohko Yosnimura
- Publisher
- Elsevier Science
- Year
- 1977
- Tongue
- French
- Weight
- 255 KB
- Volume
- 18
- Category
- Article
- ISSN
- 0040-4039
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