Lewis Acid and Substituent Effects on the Molecular Mechanism for the Nazarov Reaction of Penta-1,4-dien-3-one and Derivatives. A Topological Analysis Based on the Combined Use of Electron Localization Function and Catastrophe Theory

Electron Localization ◽

Nazarov Reaction ◽

Localization Function ◽

Combined Use

Olefin Epoxidation by Molybdenum Peroxo Compound: Molecular Mechanism Characterized by the Electron Localization Function and Catastrophe Theory

10.1021/jp108440f ◽

2011 ◽

Vol 115 (4) ◽

pp. 514-522 ◽

Cited By ~ 21

Author(s):

Slawomir Berski ◽

Fabrício R. Sensato ◽

Victor Polo ◽

Juan Andrés ◽

V. S. Safont

Keyword(s):

Molecular Mechanism ◽

Catastrophe Theory ◽

Electron Localization ◽

Olefin Epoxidation ◽

An electron localization function and catastrophe theory analysis on the molecular mechanism of gas-phase identity SN2 reactions

Theoretical Chemistry Accounts ◽

10.1007/s00214-008-0427-6 ◽

2008 ◽

Vol 120 (4-6) ◽

pp. 341-349 ◽

Cited By ~ 28

Author(s):

Victor Polo ◽

Patricio Gonzalez-Navarrete ◽

Bernard Silvi ◽

Juan Andres

Keyword(s):

Gas Phase ◽

Molecular Mechanism ◽

Catastrophe Theory ◽

Electron Localization ◽

Theory Analysis ◽

Localization Function ◽

Sn2 Reactions

Molecular mechanism of hydrogen release reactions: Topological analysis using the electron localization function

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2007.01.028 ◽

2007 ◽

Vol 811 (1-3) ◽

pp. 77-89 ◽

Cited By ~ 7

Author(s):

G. Gopakumar ◽

Vinh Son Nguyen ◽

Minh Tho Nguyen

Keyword(s):

Molecular Mechanism ◽

Topological Analysis ◽

Hydrogen Release ◽

Electron Localization ◽

Understanding the Molecular Mechanism of the 1,3-Dipolar Cycloaddition between Fulminic Acid and Acetylene in Terms of the Electron Localization Function and Catastrophe Theory

Chemistry - A European Journal ◽

10.1002/chem.200400161 ◽

2004 ◽

Vol 10 (20) ◽

pp. 5165-5172 ◽

Cited By ~ 64

Author(s):

Victor Polo ◽

Juan Andres ◽

Raquel Castillo ◽

Slawomir Berski ◽

Bernard Silvi

Keyword(s):

Molecular Mechanism ◽

Catastrophe Theory ◽

Dipolar Cycloaddition ◽

Electron Localization ◽

Substituent effects in the mechanism of mono-substituted acetylene trimerization: A topological analysis of the electron localization function

Chemical Physics Letters ◽

10.1016/j.cplett.2008.12.041 ◽

2009 ◽

Vol 469 (1-3) ◽

pp. 219-223 ◽

Cited By ~ 5

Author(s):

Oscar Donoso-Tauda ◽

Arie Aizman ◽

Carlos A. Escobar ◽

Juan C. Santos

Keyword(s):

Topological Analysis ◽

Substituent Effects ◽

Electron Localization ◽

Understanding Reaction Mechanisms in Organic Chemistry from Catastrophe Theory Applied to the Electron Localization Function Topology

10.1021/jp801429m ◽

2008 ◽

Vol 112 (31) ◽

pp. 7128-7136 ◽

Cited By ~ 124

Author(s):

Victor Polo ◽

Juan Andres ◽

Slawomir Berski ◽

Luis R. Domingo ◽

Bernard Silvi

Keyword(s):

Organic Chemistry ◽

Catastrophe Theory ◽

Reaction Mechanisms ◽

Electron Localization ◽

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

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 ◽

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

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 ◽

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