Concepedia
Journal of Organometallic Chemistry · 2013 · 22 citations · 53 references
Inorganic ChemistryChemical EngineeringEngineeringElectrochemical StudyCoordination ComplexOrganometallic ElectrochemistryMolecular ComplexCatalysisChemistryInorganic Compound
53
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
Chengteh Lee, Weitao Yang, Robert G. Parr · Physical review. B, Condensed matter · 1988 · 98.6K citations
Electron Density, Gradient Expansions, Engineering +14
A short history of<i>SHELX</i>
George M. Sheldrick · Acta Crystallographica Section A Foundations of Crystallography · 2007 · 86.8K citations · Full text
Shelx System, Engineering, Molecular Biology +14
Density-functional exchange-energy approximation with correct asymptotic behavior
Axel D. Becke · Physical review. A, General physics · 1988 · 52.9K citations
Localized Excited State, Engineering, Exchange Energies +17
<i>ORTEP</i>-3 for Windows - a version of<i>ORTEP</i>-III with a Graphical User Interface (GUI)
Louis J. Farrugia · Journal of Applied Crystallography · 1997 · 19.9K citations
X-ray Crystallography, Crystal Structure, Natural Sciences +12
<i>Ab initio</i> effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals
P. Jeffrey Hay, Willard R. Wadt · The Journal of Chemical Physics · 1985 · 15.3K citations
Electron Density, Innermost Core Electron, Outer Core Orbitals +12