Revealing the Bonding Pattern from the Molecular Electron Density Using Single Exponential Decay Detector: An Orbital-Free Alternative to the Electron Localization Function
ContributorsDe Silva, Piotr; Korchowiec, Jacek; Wesolowski, Tomasz Adam
Published inChemPhysChem, vol. 13, no. 15, p. 3462-3465
Publication date2012
Abstract
Keywords
- Bonding
- Computational chemistry
- Electron density
- Electron localization function
- Single exponential decay detector
Research group
Citation (ISO format)
DE SILVA, Piotr, KORCHOWIEC, Jacek, WESOLOWSKI, Tomasz Adam. Revealing the Bonding Pattern from the Molecular Electron Density Using Single Exponential Decay Detector: An Orbital-Free Alternative to the Electron Localization Function. In: ChemPhysChem, 2012, vol. 13, n° 15, p. 3462–3465. doi: 10.1002/cphc.201200500
Main files (1)
Article (Published version)
Identifiers
- PID : unige:23744
- DOI : 10.1002/cphc.201200500
ISSN of the journal1439-4235