Article ID Journal Published Year Pages File Type
5406022 Journal of Magnetic Resonance 2012 9 Pages PDF
Abstract
► An approach to calculate chemical shifts of diastereotopic protons is developed. ► Rotational averages and Boltzmann averages are compared. ► The choice of low-lying conformers is discussed. ► Boltzmann averages predict correct order of proton signals.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Conformational analysis of the chemical shifts for molecules containing diastereotopic methylene protons
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