Concepedia
Heliyon · 2021 · 82 citations · 52 references
Open access
52
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
Multiwfn: A multifunctional wavefunction analyzer
Tian Lu, Feiwu Chen · Journal of Computational Chemistry · 2011 · 39.7K citations
Engineering, Electron Diffraction, Computational Chemistry +17
Revealing Noncovalent Interactions
Erin R. Johnson, Shahar Keinan, Paula Mori‐Sánchez et al. · Journal of the American Chemical Society · 2010 · 8.9K citations
Electron Density, Engineering, Natural Sciences +11
A simple measure of electron localization in atomic and molecular systems
Axel D. Becke, Kenneth E. Edgecombe · The Journal of Chemical Physics · 1990 · 6.8K citations
cclib: A library for package‐independent computational chemistry algorithms
Noel M. O’Boyle, Adam L. Tenderholt, Karol M. Langner · Journal of Computational Chemistry · 2007 · 6K citations