Theoretical studies on electron delocalization in diaminoguanidine
Ab initio MO and density functional methods have been employed to understand the electronic structure and second-order delocalizations in diaminoguanidine. The potential energy surfaces of the three different positional isomers of diaminoguanidine (DAG1, DAG2, and DAG3) have been studied in detail,...
| Veröffentlicht in: | Journal of computational chemistry. - 1984. - 27(2006), 3 vom: 15. Feb., Seite 334-43 |
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| Format: | Aufsatz |
| Sprache: | English |
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2006
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| Zugriff auf das übergeordnete Werk: | Journal of computational chemistry |
| Schlagworte: | Journal Article |