Cover Picture: Molecular Property Optimizations with Boundary Conditions through the Best First Search Scheme (ChemPhysChem 10/2016). Issue 10 (4th May 2016)

• Record Type: Journal Article
• Authors: De Vleeschouwer, Freija; Geerlings, Paul; De Proft, Frank
• Is Part Of: Chemphyschem. Volume 17:Issue 10(2016)
• Page Start: 1389
• Page End: 1389
• Publication Date: 2016-05-04
• Subjects: best first search methodology -- boundary conditions -- computational chemistry -- inverse molecular design -- quantum chemistry; Chemistry, Physical and theoretical -- Periodicals; 541.05
• DOI: 10.1002/cphc.201600403
• Languages: English
• ISSNs: 1439-4235

Abstract

Abstract : The Front Cover picture shows how information gathered from single‐property optimizations can be exploited to effectively, efficiently, and rationally design novel compounds with multiple desired properties, especially when constraints are applicable. More information can be found in the Concept by F. De Vleeschouwer et al. onpage 1414 in Issue 10, 2016 (DOI:10.1002/cphc.201501189 ).