ChemInform Abstract: Transition Metal NMR Chemical Shifts and Polarizability Effect in Organometallic Complexes
β Scribed by Alexey N. Egorochkin; Olga V. Kuznetsova; Nadiya M. Khamaletdinova; Yury A. Kurskii; Lada G. Domratcheva-Lvova; Georgy A. Domrachev
- Publisher
- John Wiley and Sons
- Year
- 2009
- Weight
- 15 KB
- Volume
- 40
- Category
- Article
- ISSN
- 0931-7597
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## Abstract Both zeroβpoint and classical thermal effects on the chemical shift of transition metals have been calculated at appropriate levels of density functional theory for a number of complexes of titanium, vanadium, manganese and iron. The zeroβpoint effects were computed by applying a pertur
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