Multipole correction of atomic monopole models of molecular charge distribution. I. Peptides
The defects in atomic monopole models of molecular charge distribution have been analyzed for several model-blocked peptides and compared with accurate quantum chemical values. The results indicate that the angular characteristics of the molecular electrostatic potential around functional groups cap...
| Veröffentlicht in: | Journal of computational chemistry. - 1984. - 14(1993), 8 vom: 28., Seite 970-6 |
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| 1. Verfasser: | |
| Weitere Verfasser: | , , |
| Format: | Aufsatz |
| Sprache: | English |
| Veröffentlicht: |
1993
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| Zugriff auf das übergeordnete Werk: | Journal of computational chemistry |
| Schlagworte: | Journal Article Research Support, Non-U.S. Gov't Research Support, U.S. Gov't, Non-P.H.S. NASA Discipline Exobiology Non-NASA Center Peptides |