Carbon and proton NhfR chemical shifts are calculated for some small polyntomic molecules using ab-initio rnolecu!nr orbital theory with a minimal basis set of gauge invaiant atomic orbit& (GWO). The results are compared with those obtained without gauge factor!; and both sets of calculated values a
β¦ LIBER β¦
On the relativistic molecular orbital theory of diamagnetism and NMR chemical shifts
β Scribed by Z.C. Zhang; G.A. Webb
- Book ID
- 119116004
- Publisher
- Elsevier Science
- Year
- 1983
- Tongue
- English
- Weight
- 284 KB
- Volume
- 104
- Category
- Article
- ISSN
- 0166-1280
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