A New Scale of the Electrophilicity Index Invoking the Force Concept and Its Application in Computing the Internuclear Bond Distance

Local electrophilicity

(2018) Andrés Robles et al.   JOURNAL OF MOLECULAR MODELING

Understanding the reactivity and regioselectivity of [3 + 2] cycloaddition reactions between substituted nitrile oxides and methyl acrylate. A molecular electron density theory study

(2017) Ibrahim Mbouombouo Ndassa et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Applications of the Conceptual Density Functional Theory Indices to Organic Chemistry Reactivity

(2016) Luis Domingo et al.   MOLECULES

Computation of the internuclear distances of some heteronuclear diatomic molecules in terms of the revised electronegativity scale of Gordy

(2010) T. Chakraborty et al.   EUROPEAN PHYSICAL JOURNAL D

Electrophilicity Equalization Principle

(2010) Pratim Kumar Chattaraj et al.   Journal of Physical Chemistry Letters

Computation of the atomic radii through the conjoint action of the effective nuclear charge and the ionization energy

(2010) Tanmoy Chakraborty et al.   MOLECULAR PHYSICS

“Carbocation Watching” in Solvolysis Reactions

(2008) Heike F. Schaller et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Nucleophilicities and carbon basicities of DBU and DBN

(2008) M. Baidya et al.   CHEMICAL COMMUNICATIONS

Bond dissociation energies from a new electronegativity scale

(2008) Siamak Noorizadeh et al.   JOURNAL OF MOLECULAR STRUCTURE

A comparison between theoretical and experimental models of electrophilicity and nucleophilicity

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

A condensed-to-atom nucleophilicity index. An application to the director effects on the electrophilic aromatic substitutions

(2008) Patricia Pérez et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

A New Scale of Electronegativity Based on Electrophilicity Index

(2008) Siamak Noorizadeh et al.   JOURNAL OF PHYSICAL CHEMISTRY A

An Understanding of the Electrophilic/Nucleophilic Behavior of Electro-Deficient 2,3-Disubstituted 1,3-Butadienes in Polar Diels−Alder Reactions. A Density Functional Theory Study

(2008) Luis R. Domingo et al.   JOURNAL OF PHYSICAL CHEMISTRY A