Modeling interactions with atomic parameters including anisotropic dipole polarizability
US6460014B1 · kind B1 · utility
4Cited by
12References
22Claims
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Key dates
| Filing date | Sep 4, 1998 |
| Grant date | Oct 1, 2002 |
| Priority date | — |
| Expiry date | Sep 4, 2018 |
Classification
- Technology area (CPC G)Physics
- CPC primaryG16C20/30
- WIPO fieldComputer technology
- WIPO sectorElectrical engineering
Abstract
Molecular modeling is performed using atomic parameters which include an anisotropic dipole polarizability tensor. Permanent atomic multipole parameters may also be included in the model. Energy evaluations including contributions from polarization energy and multipole interactions may be conducted which are useful in characterizing molecular properties for drug discovery, materials evaluation, and other applications.
Source: USPTO / EPO open patent data. Objective bibliographic and citation counts.