A quick solvation energy estimator based on electronegativity equalization
© 2022 The Author. Journal of Computational Chemistry published by Wiley Periodicals LLC.
| Publié dans: | Journal of computational chemistry. - 1984. - 44(2023), 3 vom: 30. Jan., Seite 307-318 |
|---|---|
| Auteur principal: | |
| Format: | Article en ligne |
| Langue: | English |
| Publié: |
2023
|
| Accès à la collection: | Journal of computational chemistry |
| Sujets: | Journal Article Research Support, Non-U.S. Gov't atomic charges continuum solvation methods electronegativity-equalization solvation-free energies Solvents Water 059QF0KO0R Solutions |
| Accès en ligne |
Volltext |