Distinguishing between chemical bonding and physical binding using electron localization function (ELF)

Electron Localization ◽

Electron Localization Function Study on the Chemical Bonding in a Real Space for Tetrahedrane, Cubane, Adamantane, and Dodecahedrane and Their Perfluorinated Derivatives and Radical Anions

The Journal of Physical Chemistry A ◽

10.1021/jp501838g ◽

2014 ◽

Vol 118 (23) ◽

pp. 4147-4156 ◽

Cited By ~ 8

Author(s):

Slawomir Berski ◽

Agnieszka J. Gordon ◽

Zdzislaw Latajka

Keyword(s):

Chemical Bonding ◽

Real Space ◽

Radical Anions ◽

Electron Localization ◽

Localization Function ◽

Function Study

Chemical bonding analysis in boron clusters by means of localized orbitals according to the electron localization function topology

Theoretical Chemistry Accounts ◽

10.1007/s00214-015-1627-5 ◽

2015 ◽

Vol 134 (3) ◽

Cited By ~ 11

Author(s):

Ofelia B. Oña ◽

Juan J. Torres-Vega ◽

Alicia Torre ◽

Luis Lain ◽

Diego R. Alcoba ◽

...

Keyword(s):

Chemical Bonding ◽

Localized Orbitals ◽

Electron Localization ◽

Boron Clusters ◽

Bonding Analysis ◽

Electron localization function implementation in the exact muffin-tin orbitals method

Physical Review B ◽

10.1103/physrevb.103.035118 ◽

2021 ◽

Vol 103 (3) ◽

Author(s):

H. Levämäki ◽

L. Vitos

Keyword(s):

Electron Localization ◽

On the Importance of Clar Structures of Polybenzenoid Hydrocarbons as Revealed by the π-Contribution to the Electron Localization Function

Symmetry ◽

10.3390/sym2031653 ◽

2010 ◽

Vol 2 (3) ◽

pp. 1653-1682 ◽

Cited By ~ 28

Author(s):

Jun Zhu ◽

Christian Dahlstrand ◽

Joshua R. Smith ◽

Sébastien Villaume ◽

Henrik Ottosson

Keyword(s):

Electron Localization ◽

Localization Function ◽

Clar Structures

An Introduction to the Electron Localization Function

Chemical Reactivity Theory ◽

10.1201/9781420065442-24 ◽

2009 ◽

pp. 299-310

Keyword(s):

Electron Localization ◽

An Atoms in Molecules and Electron Localization Function Computational Study on the Molecular Structure of the 6-Tricyclo[3.2.1.02,4]octyl Cation

The Journal of Physical Chemistry A ◽

10.1021/jp012642u ◽

2001 ◽

Vol 105 (51) ◽

pp. 11515-11523 ◽

Cited By ~ 13

Author(s):

Nick Henry Werstiuk ◽

Yi-Gui Wang

Keyword(s):

Molecular Structure ◽

Computational Study ◽

Atoms In Molecules ◽

Electron Localization ◽

Triplet-State Aromaticity of 4nπ-Electron Monocycles: Analysis of Bifurcation in the π Contribution to the Electron Localization Function

ChemPhysChem ◽

10.1002/cphc.200700540 ◽

2008 ◽

Vol 9 (2) ◽

pp. 257-264 ◽

Cited By ~ 45

Author(s):

Sebastien Villaume ◽

Heather A. Fogarty ◽

Henrik Ottosson

Keyword(s):

Triplet State ◽

Electron Localization ◽

Electron localization function for two-dimensional systems

Physical Review B ◽

10.1103/physrevb.77.115108 ◽

2008 ◽

Vol 77 (11) ◽

Cited By ~ 14

Author(s):

E. Räsänen ◽

A. Castro ◽

E. K. U. Gross

Keyword(s):

Electron Localization ◽

Two Dimensional ◽

Bonding Analysis of Hydrogenated Lithium Clusters Using the Electron Localization Function

The Journal of Physical Chemistry A ◽

10.1021/jp012004b ◽

2001 ◽

Vol 105 (51) ◽

pp. 11531-11533 ◽

Cited By ~ 30

Author(s):

P. Fuentealba ◽

A. Savin

Keyword(s):

Electron Localization ◽

Bonding Analysis ◽

Localization Function ◽

Lithium Clusters

Surface reconstructions and bonding via the electron localization function: the case of Si(001)

Solid State Communications ◽

10.1016/s0038-1098(99)00138-6 ◽

1999 ◽

Vol 111 (10) ◽

pp. 583-588 ◽

Cited By ~ 17

Author(s):

L. De Santis ◽

R. Resta

Keyword(s):

Electron Localization ◽

Localization Function ◽

Surface Reconstructions