| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5384865 | Chemical Physics Letters | 2011 | 5 Pages |
Abstract
âºElectron density topology in hydrogen bonded complexes perturbed by electric fields. ⺠External electric fields used for modeling the interaction environment. ⺠Hydrogen bond critical point properties proposed as estimators of interaction energy. ⺠Curvature along the hydrogen bond is the most suited estimator.
Related Topics
Physical Sciences and Engineering
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Physical and Theoretical Chemistry
Authors
I. Mata, I. Alkorta, E. Espinosa, E. Molins,