Chemical Communications · 2010 · 34 citations · 14 references
Natural SciencesChemistryMaterials ScienceComputational ChemistryCrystal StructureSolid-state ChemistryAb Initio MethodsCoordination ChemistryCrystal ChemistryCrystallographyMolecular Orbital TheoryX-ray Crystallography
The persistent radical, [BCl(2)(bipy)](*) (bipy = 2,2'-bipyridyl), has been prepared and characterised by X-ray crystallography, ESR and DFT calculations. The structure is compared with that of the cation, [BCl(2)(bipy)](+).
14
Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations
Natural Sciences, Chemistry, Physics +13
A short history of<i>SHELX</i>
George M. Sheldrick · Acta Crystallographica Section A Foundations of Crystallography · 2007 · 87.4K citations · Full text
Magneto-Opto-Electronic Bistability in a Phenalenyl-Based Neutral Radical
Mikhail E. Itkis, X. Chi, A. W. Cordes et al. · Science · 2002 · 585 citations
Natural Sciences, Chemistry, Physics +17