Concepedia
Thermochimica Acta · 2020 · 13 citations · 29 references
Materials ScienceInorganic ChemistryEngineeringCoordination ComplexPolycrystalline ComplexesThermal AnalysisMolecular ComplexChemistryCrystallographyInorganic SynthesisUv-vis Spectroscopy
29
Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke · The Journal of Chemical Physics · 1993 · 101.1K citations
Electron Density, Chemical Thermodynamics, Engineering +13
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
<i>OLEX2</i>: a complete structure solution, refinement and analysis program
Oleg V. Dolomanov, Luc J. Bourhis, Richard J. Gildea et al. · Journal of Applied Crystallography · 2009 · 30.3K citations
Crystal Structure, Structure Analysis, Engineering +14
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
Florian Weigend, Reinhart Ahlrichs · Physical Chemistry Chemical Physics · 2005 · 28.5K citations
Structure validation in chemical crystallography
Anthony L. Spek · Acta Crystallographica Section D Biological Crystallography · 2009 · 15.2K citations · Full text
X-ray Crystallography, Materials Science, Inorganic Chemistry +14