| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5416544 | Journal of Molecular Structure: THEOCHEM | 2010 | 8 Pages |
Abstract
Our results indicate that the inclusion of a scaling factor allow to obtain an excellent correlation between δcalc and δexp. Also, the inclusion of asymmetry improves this correlation. In addition, taking into account the different conformations and the solvent effects a slight enhancement was obtained in this case.
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Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Eduardo J. Borkowski, Fernando D. Suvire, Ricardo D. Enriz,