Concepedia
Solid State Sciences · 2018 · 19 citations · 32 references
Open access
Materials ScienceInorganic ChemistryCrystal StructureEngineeringCoordination ComplexNew SnThermal AnalysisMolecular ComplexChemistryCrystallographyInorganic Compound
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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
A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
Stefan Grimme, Jens Antony, Stephan Ehrlich et al. · The Journal of Chemical Physics · 2010 · 53.8K citations
Engineering, Physics, Natural Sciences +11
Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
Thom H. Dunning · The Journal of Chemical Physics · 1989 · 31.2K citations
Primitive Basis Sets, Engineering, Many-body Quantum Physic +19
<i>WinGX</i>suite for small-molecule single-crystal crystallography
Louis J. Farrugia · Journal of Applied Crystallography · 1999 · 18.8K citations
X-ray Crystallography, Crystal Structure, Molecular Sciences +14
<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