Concepedia
Inorganica Chimica Acta · 2013 · 12 citations · 42 references
Inorganic ChemistryFew ThiocarboxylatonickelCoordination ComplexMolecular ComplexChemistryInorganic Synthesis
42
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
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
<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
The IEF version of the PCM solvation method: an overview of a new method addressed to study molecular solutes at the QM ab initio level
J. Tomasi, Benedetta Mennucci, Éric Cancès · Journal of Molecular Structure THEOCHEM · 1999 · 2.5K citations
Engineering, Chemical Analysis, Biochemistry +12