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

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

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

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

Identification of pseudodiatomic behavior in polyatomic bond dissociation: Reaction force analysis

(2010) Jane S. Murray et al.   JOURNAL OF CHEMICAL PHYSICS

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

Is an elementary reaction step really elementary? Theoretical decomposition of asynchronous concerted mechanisms

(2010) Vanessa Labet et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Enhanced detonation sensitivities of silicon analogs of PETN: reaction force analysis and the role of σ–hole interactions

(2010) Jane S. Murray et al.   THEORETICAL CHEMISTRY ACCOUNTS

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

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

Reaction force analyses of nitro-aci tautomerizations of trinitromethane, the elusive trinitromethanol, picric acid and 2,4-dinitro-1H-imidazole

(2009) Jane S. Murray et al.   THEORETICAL CHEMISTRY ACCOUNTS

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

Analysis of diatomic bond dissociation and formation in terms of the reaction force and the position-dependent reaction force constant

(2008) Jane S. Murray et al.   JOURNAL OF MOLECULAR MODELING

The reaction force and the transition region of a reaction

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

Theoretical Study of the Regioselectivity of [2 + 2] Photocycloaddition Reactions of Acrolein with Olefins

(2008) Pablo Jaque 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