Alder-ene reaction: Aromaticity and activation-strain analysis

Aromaticity in Group 14 Homologues of the Cyclopropenylium Cation

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

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

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

Dynamics of 1,3-Dipolar Cycloadditions: Energy Partitioning of Reactants and Quantitation of Synchronicity

(2010) Lai Xu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The activation strain model of chemical reactivity

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

Entropy versus tether strain effects on rates of intramolecular 1,3-dipolar cycloadditions of N-alkenylnitrones

(2010) Elizabeth H. Krenske et al.   TETRAHEDRON LETTERS

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

Reactivity and Regioselectivity in 1,3-Dipolar Cycloadditions of Azides to Strained Alkynes and Alkenes: A Computational Study

(2009) Franziska Schoenebeck et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

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

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