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

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

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

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

Neutral noble gas compounds exhibiting a Xe–Xe bond: structure, stability and bonding situation

(2012) Israel Fernández et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

Aromaticity in Group 14 Homologues of the Cyclopropenylium Cation

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

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

Energy decomposition analysis

(2011) Moritz von Hopffgarten et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Studying Double Group Transfer Reactions by Means of Computational Methods

(2010) Israel Fernandez et al.   CURRENT ORGANIC CHEMISTRY

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

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

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

Infrared–optical double resonance spectroscopic measurements and high level ab initio calculations on a binary complex between phenylacetylene and borane-trimethylamine. Understanding the role of C–H⋯π interactions

(2009) Surajit Maity et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Aromaticity in Heterocyclic and Inorganic Benzene Analogues

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