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Cover Picture: Molecular Property Optimizations with Boundary Conditions through the Best First Search Scheme (ChemPhysChem 10/2016) |
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| Authors: | Dr. Freija De Vleeschouwer Prof. Dr. Paul Geerlings Prof. Dr. Frank De Proft |
| Affiliation: | Eenheid Algemene Chemie (ALGC), Vrije Universiteit Brussel (VUB), Brussels, Belgium |
| Abstract: | |
| Keywords: | best first search methodology boundary conditions computational chemistry inverse molecular design quantum chemistry |