MNDO parameters for the prediction of 19F NMR chemical shifts in biologically relevant compounds

DE Williams, MB Peters, B Wang…

文献索引：Burdon,J. et al. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1976 , p. 1930 - 1933

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被引用次数: 13

摘要

... Journal of ... J. Phys. ... We are currently unaware of any of ab initio techniques that have been shown to routinely and quickly calculate the NMR chemical shifts of large systems with significant nonbonded interactions (such as proteins) which are of interest to NMR spectroscopists. ...