Topological analysis of the electron density and of the electron localization function of pyrene and its radicals

Electron Localization ◽

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 ◽

Topological Analysis of the Electron Localization Function (ELF) Applied to the Electrophilic Aromatic Substitution

The Journal of Physical Chemistry A ◽

10.1021/jp992783k ◽

2000 ◽

Vol 104 (4) ◽

pp. 852-858 ◽

Cited By ~ 67

Author(s):

Franck Fuster ◽

Alain Sevin ◽

Bernard Silvi

Keyword(s):

Topological Analysis ◽

Electrophilic Aromatic Substitution ◽

Electron Localization ◽

Aromatic Substitution ◽

Chemical Bonds in Minerals: Topological Analysis of the Electron Localization Function

Mineralogical Magazine ◽

10.1180/minmag.1994.58a.2.174 ◽

1994 ◽

Vol 58A (2) ◽

pp. 842-843 ◽

Cited By ~ 7

Author(s):

B. Silvi

Keyword(s):

Topological Analysis ◽

Electron Localization ◽

Chemical Bonds ◽

Protocovalent N–O bonding in methyl nitrite (CH3ONO) and ethyl nitrite (C2H5ONO). Topological analysis of the electron localization function (ELF) and electron localizability indicator (ELI-D) functions

Chemical Physics Letters ◽

10.1016/j.cplett.2010.05.054 ◽

2010 ◽

Vol 493 (4-6) ◽

pp. 392-398 ◽

Cited By ~ 7

Author(s):

Slawomir Berski ◽

Zdzislaw Latajka ◽

Agnieszka J. Gordon

Keyword(s):

Topological Analysis ◽

Electron Localization ◽

Methyl Nitrite ◽

Localization Function ◽

Ethyl Nitrite

Comparative Analysis of Electron-Density and Electron-Localization Function for Dinuclear Manganese Complexes with Bridging Boron- and Carbon-Centered Ligands

Chemistry - A European Journal ◽

10.1002/chem.200801073 ◽

2009 ◽

Vol 15 (3) ◽

pp. 623-632 ◽

Cited By ~ 29

Author(s):

Kathrin Götz ◽

Martin Kaupp ◽

Holger Braunschweig ◽

Dietmar Stalke

Keyword(s):

Comparative Analysis ◽

Electron Density ◽

Manganese Complexes ◽

Electron Localization ◽

The electronic structure of molecules with the BF and BCl bond in light of the topological analysis of electron localization function: Possibility of multiple bonds?

International Journal of Quantum Chemistry ◽

10.1002/qua.25781 ◽

2018 ◽

Vol 118 (24) ◽

pp. e25781 ◽

Cited By ~ 1

Author(s):

Grzegorz Mierzwa ◽

Agnieszka J. Gordon ◽

Slawomir Berski

Keyword(s):

Electronic Structure ◽

Topological Analysis ◽

Electron Localization ◽

Multiple Bonds ◽

Localization Function ◽

Structure Of Molecules

Nature of the Bonding in the AuNgX (Ng = Ar, Kr, Xe; X = F, Cl, Br, I) Molecules. Topological Study on Electron Density and the Electron Localization Function (ELF)

The Journal of Physical Chemistry A ◽

10.1021/jp508266k ◽

2014 ◽

Vol 119 (11) ◽

pp. 2401-2412 ◽

Cited By ~ 14

Author(s):

Emilia Makarewicz ◽

Agnieszka J. Gordon ◽

Slawomir Berski

Keyword(s):

Electron Density ◽

Electron Localization ◽

Topological Analysis of the Electron Localization Function: A Help for Understanding the Complex Structure of Cryolitic Melts

Journal of The Electrochemical Society ◽

10.1149/1.1391910 ◽

1999 ◽

Vol 146 (6) ◽

pp. 2180-2183 ◽

Cited By ~ 9

Author(s):

Laurent Joubert ◽

Gérard Picard ◽

Bernard Silvi ◽

Franck Fuster

Keyword(s):

Topological Analysis ◽

Complex Structure ◽

Electron Localization ◽

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 ◽

ChemInform Abstract: Curly Arrows Meet Electron Density Transfers in Chemical Reaction Mechanisms: From Electron Localization Function (ELF) Analysis to Valence-Shell Electron-Pair Repulsion (VSEPR) Inspired Interpretation

ChemInform ◽

10.1002/chin.201633255 ◽

2016 ◽

Vol 47 (33) ◽

Author(s):

Juan Andres ◽

Slawomir Berski ◽

Bernard Silvi

Keyword(s):

Electron Density ◽

Chemical Reaction ◽

Reaction Mechanisms ◽

Electron Pair ◽

Electron Localization ◽

Valence Shell ◽

Localization Function ◽

Shell Electron ◽

Chemical Reaction Mechanisms