Angewandte Chemie International Edition · 2010 · 30 citations · 47 references
Natural SciencesChemistryMaterials ScienceCrystal StructureElectrochemistryPhysical ChemistryCharge Carrier TransportCurrent DistributionElectrical ConductivityElectron TransportMetalsSurface ChargeCharge Carrier DensityCharge DistributionElectron Density Distributions
Two lone pairs: The metallaphosphane [Me2Al(μ-Py)2P] contains a divalent PIII atom. Charge density investigations reveal the presence of two lone pairs at the central phosphorus atom. This result explains why the phosphorus atom in PPy2(H) can be employed in a μ-bridging fashion to two {W(CO)5} moieties in the unsupported dinuclear complex [{(OC)5W}2(μ-P)Py2(H)], and thus behaves as a four-electron donor.
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A short history of<i>SHELX</i>
George M. Sheldrick · Acta Crystallographica Section A Foundations of Crystallography · 2007 · 87.4K citations · Full text
A new mixing of Hartree–Fock and local density-functional theories
Axel D. Becke · The Journal of Chemical Physics · 1993 · 16.4K citations
Natural Sciences, Chemistry, Physics +11