Complementarity of reaction force and electron localization function analyses of asynchronicity in bond formation in Diels–Alder reactions

Perspectives on the reaction force constant

(2013) Peter Politzer et al.   JOURNAL OF MOLECULAR MODELING

The reaction force constant as an indicator of synchronicity/nonsynchronicity in [4+2] cycloaddition processes

(2013) Diana Yepes et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Understanding the Bond Formation in Hetero-Diels-Alder Reactions. An ELF Analysis of the Reaction of Nitroethylene with Dimethylvinylamine

(2012) Luis R. Domingo et al.   CURRENT ORGANIC CHEMISTRY

Fine structure in the transition region: reaction force analyses of water-assisted proton transfers

(2012) Diana Yepes et al.   JOURNAL OF MOLECULAR MODELING

Origin of the synchronicity in bond formation in polar Diels–Alder reactions: an ELF analysis of the reaction between cyclopentadiene and tetracyanoethylene

(2012) Luis R. Domingo et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

The reaction force constant: an indicator of the synchronicity in double proton transfer reactions

(2012) Diana Yepes et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Dynamics, transition states, and timing of bond formation in Diels-Alder reactions

(2012) K. Black et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Understanding the local reactivity in polar organic reactions through electrophilic and nucleophilic Parr functions

(2012) Luis R. Domingo et al.   RSC Advances

Asymmetric Organocatalytic Cyclization and Cycloaddition Reactions

(2011) Albert Moyano et al.   CHEMICAL REVIEWS

The nucleophilicity N index in organic chemistry

(2011) Luis R. Domingo et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Computational Analysis of the Mechanism of Chemical Reactions in Terms of Reaction Phases: Hidden Intermediates and Hidden Transition States

(2010) Elfi Kraka et al.   ACCOUNTS OF CHEMICAL RESEARCH

Quantitative analysis of molecular surfaces: areas, volumes, electrostatic potentials and average local ionization energies

(2010) Felipe A. Bulat et al.   JOURNAL OF MOLECULAR MODELING

Reaction Force and Its Link to Diabatic Analysis: A Unifying Approach to Analyzing Chemical Reactions

(2010) Peter Politzer et al.   Journal of Physical Chemistry Letters

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

Reaction Force Analysis of Solvent Effects in the Addition of HCl to Propene

(2009) Jaroslav V. Burda et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Understanding the mechanism of polar Diels–Alder reactions

(2009) Luis R. Domingo et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Reaction force constant and projected force constants of vibrational modes along the path of an intramolecular proton transfer reaction

(2008) Pablo Jaque et al.   CHEMICAL PHYSICS LETTERS

The reaction force and the transition region of a reaction

(2008) Alejandro Toro-Labbé et al.   JOURNAL OF MOLECULAR MODELING

Understanding the Reactivity of Captodative Ethylenes in Polar Cycloaddition Reactions. A Theoretical Study†

(2008) Luis R. Domingo 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