CrystEngComm · 2019 · 16 citations · 83 references
Natural SciencesChemistryMaterials ScienceComputational ChemistryCrystal StructureTheoretical ChemistryAntiferromagnetismCoordination ChemistryDensity Functional TheoryMetal-ligand BondingTransition Metal ChemistryTransition Metal ComplexesLigand DesignLigand Design For Cross-couplingLigand Field EffectsMagnetic Properties Of Transition Metal ComplexesMagnetism Of Transition Metal ComplexesMetal-ligand Covalency
The role of the auxiliary part of ligands towards the architecture of copper(<sc>ii</sc>)-based catecholase models were unveiled with the help of DFT study.
83
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
<i>WinGX</i>and<i>ORTEP for Windows</i>: an update
Louis J. Farrugia · Journal of Applied Crystallography · 2012 · 11.8K citations