Ene-ene-yne Reactions: Activation Strain Analysis and the Role of Aromaticity

Why Do Cycloaddition Reactions Involving C60Prefer [6,6] over [5,6] Bonds?

(2013) Israel Fernández et al.   CHEMISTRY-A EUROPEAN JOURNAL

Origin of the “endo rule” in Diels-Alder reactions

(2013) Israel Fernández et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Reactivity in Nucleophilic Vinylic Substitution (SNV):SNVπ versus SNVσ Mechanistic Dichotomy

(2013) Israel Fernández et al.   JOURNAL OF ORGANIC CHEMISTRY

Noyori Hydrogenation: Aromaticity, Synchronicity, and Activation Strain Analysis

(2013) Olalla Nieto Faza et al.   JOURNAL OF ORGANIC CHEMISTRY

Substituent Effects on “Hyperconjugative” Aromaticity and Antiaromaticity in Planar Cyclopolyenes

(2013) Israel Fernández et al.   ORGANIC LETTERS

Type-I Dyotropic Reactions: Understanding Trends in Barriers

(2012) Israel Fernández et al.   CHEMISTRY-A EUROPEAN JOURNAL

Experimental Diels-Alder Reactivities of Cycloalkenones and Cyclic Dienes Explained through Transition-State Distortion Energies

(2011) Robert S. Paton et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Classical Valence Bond Approach by Modern Methods

(2011) Wei Wu et al.   CHEMICAL REVIEWS

Aromaticity in Group 14 Homologues of the Cyclopropenylium Cation

(2011) Israel Fernández et al.   CHEMISTRY-A EUROPEAN JOURNAL

Extraordinary Difference in Reactivity of Ozone (OOO) and Sulfur Dioxide (OSO): A Theoretical Study

(2011) Yu Lan et al.   Journal of Chemical Theory and Computation

Alder-ene reaction: Aromaticity and activation-strain analysis

(2011) Israel Fernández et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Aromaticity and Activation Strain Analysis of [3 + 2] Cycloaddition Reactions between Group 14 Heteroallenes and Triple Bonds

(2011) Israel Fernández et al.   JOURNAL OF ORGANIC CHEMISTRY

DFT Study of Thermal 1,3-Dipolar Cycloaddition Reactions between Alkynyl Metal(0) Fischer Carbene Complexes and 3H-1,2-Dithiole-3-thione Derivatives

(2011) Diego M. Andrada et al.   ORGANOMETALLICS

Concerted and Stepwise Mechanisms in Metal-Free and Metal-Assisted [4+3] Cycloadditions Involving Allyl Cations

(2010) Israel Fernández et al.   CHEMISTRY-A EUROPEAN JOURNAL

Studying Double Group Transfer Reactions by Means of Computational Methods

(2010) Israel Fernandez et al.   CURRENT ORGANIC CHEMISTRY

Consistent Aromaticity Evaluations of Methylenecyclopropene Analogues

(2010) Yan Wang et al.   JOURNAL OF ORGANIC CHEMISTRY

Rate-Determining Factors in Nucleophilic Aromatic Substitution Reactions

(2010) Israel Fernández et al.   JOURNAL OF ORGANIC CHEMISTRY

The activation strain model of chemical reactivity

(2010) Willem-Jan van Zeist et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Dyotropic Reactions: Mechanisms and Synthetic Applications†

(2009) Israel Fernández et al.   CHEMICAL REVIEWS

Double Group Transfer Reactions: Role of Activation Strain and Aromaticity in Reaction Barriers

(2009) Israel Fernández et al.   CHEMISTRY-A EUROPEAN JOURNAL

The Interplay between Steric and Electronic Effects in SN2 Reactions

(2009) Israel Fernández et al.   CHEMISTRY-A EUROPEAN JOURNAL

Density Functionals with Broad Applicability in Chemistry

(2008) Yan Zhao et al.   ACCOUNTS OF CHEMICAL RESEARCH

Aromaticity in Heterocyclic and Inorganic Benzene Analogues

(2008) Simon C. A. H. Pierrefixe et al.   AUSTRALIAN JOURNAL OF CHEMISTRY

Computational Analysis on the Dual Reactivity of Conjugated “Ene-Ene-Yne” Systems

(2008) Sean P. McClintock 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

Aromaticity and Antiaromaticity in 4-, 6-, 8-, and 10-Membered Conjugated Hydrocarbon Rings†

(2008) Simon C. A. H. Pierrefixe et al.   JOURNAL OF PHYSICAL CHEMISTRY A

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

Transition States of Strain-Promoted Metal-Free Click Chemistry:  1,3-Dipolar Cycloadditions of Phenyl Azide and Cyclooctynes

(2008) Daniel H. Ess et al.   ORGANIC LETTERS