Extracting Information about Chemical Bonding from Molecular Electron Densities via Single Exponential Decay Detector (SEDD)
P. De Silva
, J. Korchowiec, N.J.S. Ram and
T.A. Wesolowski
Chimia
,
67
(4) , 2013, p253-256
Keywords:
aromaticity
•
bonding
•
conceptual DFT
•
electron density
•
electron localization
DOI:
10.2533/chimia.2013.253
|
unige:28399
|
Abstract
|
Article PDF
Revealing the Bonding Pattern from the Molecular Electron Density Using Single Exponential Decay Detector: An Orbital-Free Alternative to the Electron Localization Function
P. De Silva
, J. Korchowiec and
T.A. Wesolowski
ChemPhysChem
,
13
(15) , 2012, p3462-3465
Keywords:
bonding
•
computational chemistry
•
electron density
•
electron localization function
•
single exponential decay detector
DOI:
10.1002/cphc.201200500
|
unige:23744
|
Abstract
|
Article PDF
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Last update Wednesday October 02 2013