Finite-difference solution of the Poisson-Boltzmann equation : Complete elimination of self-energy
Copyright © 1996 John Wiley & Sons, Inc.
| Veröffentlicht in: | Journal of computational chemistry. - 1984. - 17(1996), 11 vom: 17. Aug., Seite 1344-51 |
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| 1. Verfasser: | |
| Weitere Verfasser: | , , , |
| Format: | Online-Aufsatz |
| Sprache: | English |
| Veröffentlicht: |
1996
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| Zugriff auf das übergeordnete Werk: | Journal of computational chemistry |
| Schlagworte: | Journal Article |
| Zusammenfassung: | Copyright © 1996 John Wiley & Sons, Inc. A new procedure to solve the Poisson-Boltzmann equation is proposed and shown to be efficient. The electrostatic potential due to the reaction field is calculated directly. Self-interactions among the charges are completely eliminated. Therefore, the reference calculation to cancel out the self-energy is not needed. © 1996 by John Wiley & Sons, Inc |
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| Beschreibung: | Date Completed 18.11.2014 Date Revised 17.11.2014 published: Print Citation Status PubMed-not-MEDLINE |
| ISSN: | 1096-987X |
| DOI: | 10.1002/(SICI)1096-987X(199608)17:11<1344::AID-JCC7>3.0.CO;2-M |