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

Electrochemical control of the regioselectivity in the exohedral functionalization of C60: the role of aromaticity

(2012) Marc Garcia-Borràs et al.   CHEMICAL COMMUNICATIONS

Type-I Dyotropic Reactions: Understanding Trends in Barriers

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

Full Exploration of the Diels-Alder Cycloaddition on Metallofullerenes M3N@C80 (M=Sc, Lu, Gd): The D5h versus Ih Isomer and the Influence of the Metal Cluster

(2012) Sílvia Osuna et al.   CHEMISTRY-A EUROPEAN JOURNAL

Trapping intermediates and comparing relative reactivities: a DFT M06-2X study on Diels-Alder cycloadditions of butadiene to C60and C70

(2012) Xue-Fen Gao et al.   JOURNAL OF PHYSICAL ORGANIC CHEMISTRY

Switching the Stereoselectivity: (Fullero)Pyrrolidines “a la Carte”

(2012) Enrique E. Maroto et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

Dispersion Corrections Essential for the Study of Chemical Reactivity in Fullerenes

(2011) Sílvia Osuna et al.   JOURNAL OF PHYSICAL CHEMISTRY A

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

Energy decomposition analysis

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

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

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

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

An efficient approach to chiral fullerene derivatives by catalytic enantioselective 1,3-dipolar cycloadditions

(2009) Salvatore Filippone et al.   Nature Chemistry

Twelve One-Electron Ligands Coordinating One Metal Center: Structure and Bonding of [Mo(ZnCH3)9(ZnCp*)3]

(2008) Thomas Cadenbach et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

DFT Study on the Diels−Alder Cycloaddition between Alkenyl−M(0) (M = Cr, W) Carbene Complexes and Neutral 1,3-Dienes

(2008) Israel Fernández 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

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