A Frontier Molecular Orbital Theory Approach to Understanding the Mayr Equation and to Quantifying Nucleophilicity and Electrophilicity by Using HOMO and LUMO Energies

Free Energy Relationships for Reactions of Substituted Benzhydrylium Ions: From Enthalpy over Entropy to Diffusion Control

(2012) Johannes Ammer et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Limitations of the s(E+N) and Related Equations: Solvent Dependence of Electrophilicity

(2011) T. William Bentley   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Reply to T. W. Bentley: Limitations of the s(E+N) and Related Equations

(2011) Herbert Mayr   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

A Practical Guide for Estimating Rates of Heterolysis Reactions†

(2010) Nicolas Streidl et al.   ACCOUNTS OF CHEMICAL RESEARCH

First-Principles Prediction of Nucleophilicity Parameters for π Nucleophiles: Implications for Mechanistic Origin of Mayr’s Equation

(2010) Chen Wang et al.   CHEMISTRY-A EUROPEAN JOURNAL

Nucleophilic Reactivities of Imide and Amide Anions

(2010) Martin Breugst et al.   JOURNAL OF ORGANIC CHEMISTRY

A Clear Correlation between the Diradical Character of 1,3-Dipoles and Their Reactivity toward Ethylene or Acetylene

(2010) Benoit Braida et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Scope and Limitations of Cyclopropanations with Sulfur Ylides

(2010) Roland Appel et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Nucleophilicities and Lewis basicities of imidazoles, benzimidazoles, and benzotriazoles

(2010) Mahiuddin Baidya et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

The EVB as a quantitative tool for formulating simulations and analyzing biological and chemical reactions

(2009) Shina C. L. Kamerlin et al.   FARADAY DISCUSSIONS

Further relationships between theoretical and experimental models of electrophilicity and nucleophilicity

(2009) Eduardo Chamorro et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Determination of the Electrophilicity Parameters of Diethyl Benzylidenemalonates in Dimethyl Sulfoxide: Reference Electrophiles for Characterizing Strong Nucleophiles

(2008) Oliver Kaumanns et al.   CHEMISTRY-A EUROPEAN JOURNAL

A comparison between theoretical and experimental models of electrophilicity and nucleophilicity

(2008) Eduardo Chamorro et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Electrophilicity Parameters of 5-Benzylidene-2,2-dimethyl[1,3]dioxane-4,6-diones (Benzylidene Meldrum's Acids)

(2008) Oliver Kaumanns et al.   JOURNAL OF ORGANIC CHEMISTRY

Nucleophilicity and Leaving-Group Ability in Frontside and Backside SN2 Reactions

(2008) A. Patrícia Bento et al.   JOURNAL OF ORGANIC CHEMISTRY

Nucleophilicities of the Anions of Arylacetonitriles and Arylpropionitriles in Dimethyl Sulfoxide

(2008) Oliver Kaumanns et al.   JOURNAL OF ORGANIC CHEMISTRY

Do general nucleophilicity scales exist?

(2008) Herbert Mayr et al.   JOURNAL OF PHYSICAL ORGANIC CHEMISTRY

Theory of 1,3-Dipolar Cycloadditions: Distortion/Interaction and Frontier Molecular Orbital Models

(2008) Daniel H. Ess et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY