Deeper Insight into the Diels-Alder Reaction through the Activation Strain Model

Understanding the Reactivity of Planar Polycyclic Aromatic Hydrocarbons: Towards the Graphene Limit

(2016) Yago García-Rodeja et al.   CHEMISTRY-A EUROPEAN JOURNAL

Reactivity of Single-Walled Carbon Nanotubes in the Diels-Alder Cycloaddition Reaction: Distortion-Interaction Analysis along the Reaction Pathway

(2016) Yingzi Li et al.   CHEMISTRY-A EUROPEAN JOURNAL

Factors Controlling the Reactivity and Selectivity of the Diels–Alder Reactions Involving 1,2-Azaborines

(2016) Yago García-Rodeja et al.   JOURNAL OF ORGANIC CHEMISTRY

(4 + 2) and (2 + 2) Cycloadditions of Benzyne to C60 and Zig-Zag Single-Walled Carbon Nanotubes: The Effect of the Curvature

(2016) Juan Pablo Martínez et al.   Journal of Physical Chemistry C

Distortion-Controlled Reactivity and Molecular Dynamics of Dehydro-Diels–Alder Reactions

(2016) Peiyuan Yu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Diels-Alder Reactions of 1,2-Azaborines

(2015) Richard J. Burford et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Chemistry at the interior atoms of polycyclic aromatic hydrocarbons

(2015) Lawrence T. Scott   CHEMICAL SOCIETY REVIEWS

Reactivity and Selectivity of Bowl-Shaped Polycyclic Aromatic Hydrocarbons: Relationship to C60

(2015) Yago García-Rodeja et al.   CHEMISTRY-A EUROPEAN JOURNAL

Understanding the Reactivity of Endohedral Metallofullerenes: C78versus Sc3N@C78

(2015) F. Matthias Bickelhaupt et al.   CHEMISTRY-A EUROPEAN JOURNAL

Factors Controlling β-Elimination Reactions in Group 10 Metal Complexes

(2015) E. Daiann Sosa Carrizo  et al.   CHEMISTRY-A EUROPEAN JOURNAL

Schleyer hyperconjugative aromaticity and Diels-Alder reactivity of 5-substituted cyclopentadienes

(2015) Brian J. Levandowski et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

The activation strain model and molecular orbital theory

(2015) Lando P. Wolters et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

The activation strain model and molecular orbital theory: understanding and designing chemical reactions

(2014) Israel Fernández et al.   CHEMICAL SOCIETY REVIEWS

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

(2014) Israel Fernández et al.   CHEMISTRY-A EUROPEAN JOURNAL

Origin of Reactivity Trends of Noble Gas Endohedral Fullerenes Ng2@C60 (Ng = He to Xe)

(2014) Israel Fernández et al.   Journal of Chemical Theory and Computation

Activation-Strain Analysis Reveals Unexpected Origin of Fast Reactivity in Heteroaromatic Azadiene Inverse-Electron-Demand Diels–Alder Cycloadditions

(2014) Austin Talbot et al.   JOURNAL OF ORGANIC CHEMISTRY

Why Alkynyl Substituents Dramatically Accelerate Hexadehydro-Diels–Alder (HDDA) Reactions: Stepwise Mechanisms of HDDA Cycloadditions

(2014) Yong Liang et al.   ORGANIC LETTERS

Industrial Applications of the Diels-Alder Reaction

(2013) Jacques-Alexis Funel et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

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

Diels–Alder Reactivities of Strained and Unstrained Cycloalkenes with Normal and Inverse-Electron-Demand Dienes: Activation Barriers and Distortion/Interaction Analysis

(2013) Fang Liu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

(2013) Israel Fernández et al.   ORGANIC LETTERS

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

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

The activation strain model of chemical reactivity

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

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

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