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QSAR Studies of Compounds Acting by Polar and Non-polar Narcosis: an Examination of the Role of Polarisability and Hydrogen Bonding

✍ Scribed by Dearden, J.C. ;Cronin, M.T.D. ;Zhao, Y.-H. ;Raevsky, O.A.


Publisher
John Wiley and Sons
Year
2000
Tongue
English
Weight
84 KB
Volume
19
Category
Article
ISSN
1611-020X

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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__‐dimethylacetamidine. Hydrogen bonding effects on shie