Heteronuclear double magnetic resonance studies of 199Hg nuclear shielding constants in organomercury compounds
✍ Scribed by A.P Tupčiauskas; N.M Sergeyev; Yu.A Ustynyuk; A.N Kashin
- Publisher
- Elsevier Science
- Year
- 1972
- Weight
- 145 KB
- Volume
- 7
- Category
- Article
- ISSN
- 0022-2364
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## Abstract We present a systematic density functional investigation on the prediction of the ^13^C, ^15^N, ^17^O, and ^19^F NMR properties of 23 molecules with 21 density functionals. Extensive comparisons are made for both ^13^C magnetic shieldings and chemical shifts with respect to the gas phas
Rcccivcd 14 Scptcmbcr 1970 Anisotropies 01 the 13C shielding constant @UC) for CIinI and Cll+!X arc obtained from 'k SMi1 studies of these molcculcs in the ncmatic solvents. The results arc compnrcd with the Lhcorctkal vnlues obtained by the molccuklr orhitnl cnlculxtions using thz current theory. T