Importance of steric effect on the hydrogen bond strength of malondialdehyde and acetylacetone 3-substituted derivatives. An ab initio study
β Scribed by G. Buemi; F. Zuccarello
- Book ID
- 112083129
- Publisher
- John Wiley and Sons
- Year
- 1997
- Weight
- 145 KB
- Volume
- 2
- Category
- Article
- ISSN
- 1082-4928
- DOI
- 10.1002/ejtc.62
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## Abstract Density functional theory combined with the polarizable continuum model (PCM) and continuous set of gauge transformations method is applied to investigate the effects of solvent polarity on the nitrogen NMR shieldings of __N__, __N__βdimethylacetamidine. Hydrogen bonding effects on shie