Extension of the MST continuum solvation model to the RM1 semiempirical Hamiltonian
The need to simulate large-sized molecules or to deal with large series of compounds is a challenging topic in computational chemistry, which has stimulated the development of accurate semiempirical methods, such as the recently reported Recife Model 1 (RM1; J Comput Chem 2006, 27, 1101). Even thoug...
| Veröffentlicht in: | Journal of computational chemistry. - 1984. - 29(2008), 4 vom: 01. März, Seite 578-87 |
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| Weitere Verfasser: | , , |
| Format: | Online-Aufsatz |
| Sprache: | English |
| Veröffentlicht: |
2008
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| Zugriff auf das übergeordnete Werk: | Journal of computational chemistry |
| Schlagworte: | Journal Article Research Support, Non-U.S. Gov't Ions Solvents |