New insights on the bridge carbon–carbon bond in propellanes: A theoretical study based on the analysis of the electron localization function

Electron Localization ◽

Carbon Bond ◽

Localization Function ◽

Carbon Carbon Bond ◽

Bridge Carbon

A Theoretical Study on the Reaction Mechanism for the Bergman Cyclization from the Perspective of the Electron Localization Function and Catastrophe Theory

The Journal of Physical Chemistry A ◽

10.1021/jp0441947 ◽

2005 ◽

Vol 109 (16) ◽

pp. 3687-3693 ◽

Cited By ~ 42

Author(s):

Juan C. Santos ◽

Juan Andres ◽

Arie Aizman ◽

Patricio Fuentealba ◽

Victor Polo

Keyword(s):

Reaction Mechanism ◽

Catastrophe Theory ◽

Theoretical Study ◽

Electron Localization ◽

Bergman Cyclization ◽

A theoretical study of the bonding in NO, (NO)2, (NO)2−and (NO)22−using a topological analysis of the electron localization function

Physical Chemistry Chemical Physics ◽

10.1039/b401310g ◽

2004 ◽

Vol 6 (13) ◽

pp. 3228-3234 ◽

Cited By ~ 10

Author(s):

Franck Fuster ◽

Christine Dézarnaud-Dandine ◽

Hilaire Chevreau ◽

Alain Sevin

Keyword(s):

Theoretical Study ◽

Topological Analysis ◽

Electron Localization ◽

A Theoretical Study of the Bonding in NO, (NO)2, (NO)-2 and (NO)2-2 Using a Topological Analysis of the Electron Localization Function.

ChemInform ◽

10.1002/chin.200441001 ◽

2004 ◽

Vol 35 (41) ◽

Author(s):

Franck Fuster ◽

Christine Dezarnaud-Dandine ◽

Hilaire Chevreau ◽

Alain Sevin

Keyword(s):

Theoretical Study ◽

Topological Analysis ◽

Electron Localization ◽

Better Understanding of the Ring-Cleavage Process of Cyanocyclopropyl Anionic Derivatives. A Theoretical Study Based on the Electron Localization Function

The Journal of Organic Chemistry ◽

10.1021/jo052117h ◽

2006 ◽

Vol 71 (2) ◽

pp. 754-762 ◽

Cited By ~ 18

Author(s):

Victor Polo ◽

Luis R. Domingo ◽

Juan Andrés

Keyword(s):

Theoretical Study ◽

Ring Cleavage ◽

Electron Localization ◽

Localization Function ◽

Cleavage Process

Theoretical study of one-electron bonds in a series of high-spin lithium–beryllium–hydrogen clusters: “Valence shell single-electron repulsion” rule and electron localization function analysis

International Journal of Quantum Chemistry ◽

10.1002/qua.21020 ◽

2006 ◽

Vol 107 (1) ◽

pp. 72-80 ◽

Cited By ~ 3

Author(s):

Patrick Chaquin ◽

Hilaire Chevreau

Keyword(s):

High Spin ◽

Theoretical Study ◽

Function Analysis ◽

Single Electron ◽

Electron Localization ◽

Valence Shell ◽

Hydrogen Clusters ◽

Localization Function ◽

Electron Repulsion

A theoretical study of NO2 complexes with aluminium and gallium based on topological analysis of electron density and electron localization function

Chemical Physics Letters ◽

10.1016/s0009-2614(00)01295-1 ◽

2000 ◽

Vol 332 (5-6) ◽

pp. 617-623 ◽

Cited By ~ 3

Author(s):

Jarosław Panek ◽

Zdzisław Latajka

Keyword(s):

Electron Density ◽

Theoretical Study ◽

Topological Analysis ◽

Electron Localization ◽

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 ◽