An Electron Localization Function Study of the Lone Pair

D. B. Chesnut

doi:10.1021/jp002957u

An Electron Localization Function Study of the Lone Pair

The Journal of Physical Chemistry A ◽

10.1021/jp002957u ◽

2000 ◽

Vol 104 (49) ◽

pp. 11644-11650 ◽

Cited By ~ 42

Author(s):

D. B. Chesnut

Keyword(s):

Lone Pair ◽

Electron Localization Function ◽

Electron Localization ◽

Localization Function ◽

Function Study

Download Full-text

An atom-in-molecules and electron-localization-function study of the interaction between O 2 and V x O y + /V x O y ( x = 1, 2, y = 1-5) clusters

Theoretical Chemistry Accounts ◽

10.1007/s00214-002-0350-1 ◽

2002 ◽

Vol 108 (1) ◽

pp. 12-20 ◽

Cited By ~ 10

Author(s):

M. Calatayud ◽

S. Berski ◽

A. Beltran ◽

J. Andrés

Keyword(s):

Electron Localization Function ◽

Electron Localization ◽

Localization Function ◽

Function Study

Download Full-text

Creating Three Pentacoordinated Carbons in a Six-Membered Ring. An Atoms-in-Molecules and Electron-Localization Function Study on the Trishomocyclopropenyl Cation and Phosphorus, Sulfur, Arsenic, and Selenium Analogues

The Journal of Physical Chemistry A ◽

10.1021/jp030741x ◽

2003 ◽

Vol 107 (44) ◽

pp. 9434-9446 ◽

Cited By ~ 3

Author(s):

Nick Henry Werstiuk ◽

Yi-Gui Wang

Keyword(s):

Membered Ring ◽

Atoms In Molecules ◽

Electron Localization Function ◽

Electron Localization ◽

Localization Function ◽

Function Study

Download Full-text

Orbital Localization Criterion as a Complementary Tool in the Bonding Analysis by Means of Electron Localization Function: Study of the Sin(BH)5-n2- (n = 0–5) Clusters

The Journal of Physical Chemistry A ◽

10.1021/jp4081228 ◽

2013 ◽

Vol 117 (48) ◽

pp. 12953-12958 ◽

Cited By ~ 7

Author(s):

Ofelia B. Oña ◽

Diego R. Alcoba ◽

Alicia Torre ◽

Luis Lain ◽

Juan J. Torres-Vega ◽

...

Keyword(s):

Electron Localization Function ◽

Electron Localization ◽

Bonding Analysis ◽

Localization Function ◽

Function Study ◽

Localization Criterion

Download Full-text

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 ◽

Electron Localization Function ◽

Radical Anions ◽

Electron Localization ◽

Localization Function ◽

Function Study

Download Full-text

The nature of the C–As bonds in arsaalkynes: an atoms in molecules and electron localization function study

Vincenzo Barone - Highlights in Theoretical Chemistry ◽

10.1007/978-3-642-34462-6_7 ◽

2012 ◽

pp. 53-65

Author(s):

Tiziana Marino ◽

Maria C. Michelini ◽

Nino Russo ◽

Emilia Sicilia ◽

Marirosa Toscano

Keyword(s):

Atoms In Molecules ◽

Electron Localization Function ◽

Electron Localization ◽

Localization Function ◽

Function Study

Download Full-text

Importance of lone pair interactions/redistribution in hard and soft ligands within the active site of alcohol dehydrogenase Zn-metalloenzyme: Insights from electron localization function

Interdisciplinary Sciences Computational Life Sciences ◽

10.1007/s12539-008-0027-0 ◽

2009 ◽

Vol 1 (1) ◽

pp. 55-60 ◽

Cited By ~ 11

Author(s):

B. De Courcy ◽

N. Gresh ◽

J.-P. Piquemal

Keyword(s):

Alcohol Dehydrogenase ◽

Active Site ◽

Lone Pair ◽

Electron Localization Function ◽

Electron Localization ◽

Localization Function ◽

Lone Pair Interactions ◽

Pair Interactions

Download Full-text

The nature of the C–As bonds in arsaalkynes: an atoms in molecules and electron localization function study

Theoretical Chemistry Accounts ◽

10.1007/s00214-012-1141-y ◽

2012 ◽

Vol 131 (3) ◽

Cited By ~ 8

Author(s):

Tiziana Marino ◽

Maria C. Michelini ◽

Nino Russo ◽

Emilia Sicilia ◽

Marirosa Toscano

Keyword(s):

Atoms In Molecules ◽

Electron Localization Function ◽

Electron Localization ◽

Localization Function ◽

Function Study

Download Full-text

Quantum chemical topology description of the hydrogen transfer between the ethynyl radical and ammonia (C2H+NH3) – The electron localization function study

Chemical Physics Letters ◽

10.1016/j.cplett.2006.06.049 ◽

2006 ◽

Vol 426 (4-6) ◽

pp. 273-279 ◽

Cited By ~ 6

Author(s):

Slawomir Berski ◽

Zdzisław Latajka

Keyword(s):

Quantum Chemical ◽

Hydrogen Transfer ◽

Electron Localization Function ◽

Electron Localization ◽

Localization Function ◽

Function Study ◽

Chemical Topology ◽

Ethynyl Radical ◽

Quantum Chemical Topology

Download Full-text

A mechanism of the 1,3-dipolar cycloaddition between the hydrogen nitryl HNO2 and acetylene HCCH: The electron localization function study on evolution of the chemical bonds

International Journal of Quantum Chemistry ◽

10.1002/qua.22532 ◽

2011 ◽

Vol 111 (10) ◽

pp. 2378-2389 ◽

Cited By ~ 6

Author(s):

Slawomir Berski ◽

Zdzislaw Latajka

Keyword(s):

Electron Localization Function ◽

Dipolar Cycloaddition ◽

Electron Localization ◽

Chemical Bonds ◽

Localization Function ◽

Function Study

Download Full-text

An electron localization function study of the trimerization of acetylene: Reaction mechanism and development of aromaticity

Chemical Physics Letters ◽

10.1016/j.cplett.2005.02.102 ◽

2005 ◽

Vol 406 (4-6) ◽

pp. 393-397 ◽

Cited By ~ 35

Author(s):

Juan C. Santos ◽

Victor Polo ◽

Juan Andrés

Keyword(s):

Reaction Mechanism ◽

Electron Localization Function ◽

Electron Localization ◽

Localization Function ◽

Function Study

Download Full-text