Abstract
The use and characteristics of local properties designed to describe intermolecular interactions projected onto molecular surfaces and based on semiempirical molecular orbital theory are described. After a discussion of the local properties themselves and their relationship to intermolecular interactions and chemical reactivity, two applications are described. The first, surface-integral models for physical properties, involve integrating a functional of the local properties over the molecular surface. In the second example, we discuss a possible
approach to determining the potential specificity of biological interactions based on Shannon's theory of communication.
| Original language | English |
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| Pages | 129-146 |
| Number of pages | 18 |
| Publication status | Published - 2006 |
| Event | Molecular interactions: bringing chemistry to life: proceedings of the International Beilstein Workshop - Bozen, Italy Duration: 15 May 2006 → 19 May 2006 |
Conference
| Conference | Molecular interactions: bringing chemistry to life: proceedings of the International Beilstein Workshop |
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| Country/Territory | Italy |
| City | Bozen |
| Period | 15/05/06 → 19/05/06 |