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Shielding calculations for ships carrying irradiated nuclear fuel

✍ Scribed by M.H. Dean

Book ID
107953698
Publisher
Elsevier Science
Year
1985
Tongue
English
Weight
691 KB
Volume
12
Category
Article
ISSN
0306-4549

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Ab initio13C nuclear shielding calculati
Ab initio13C nuclear shielding calculations for some hydrocarbons using the GIAO procedure
✍ Hiromichi Kurosu; Graham A. Webb; Isao Ando πŸ“‚ Article πŸ“… 1992 πŸ› John Wiley and Sons 🌐 English βš– 278 KB

## Abstract The results of some __ab initio__ GIAOο£ΏCHF ^13^C shielding calculations for some hydrocarbons, performed with several basis sets, are reported and compared with experimental data. Optimized and experimental molecular geometries have been used in these calculations. The effect of the cho