Related references
Note: Only part of the references are listed.Fine structure in the transition region: reaction force analyses of water-assisted proton transfers
Diana Yepes et al.
JOURNAL OF MOLECULAR MODELING (2013)
Computational Analysis of the Mechanism of Chemical Reactions in Terms of Reaction Phases: Hidden Intermediates and Hidden Transition States
Elfi Kraka et al.
ACCOUNTS OF CHEMICAL RESEARCH (2010)
Identification of pseudodiatomic behavior in polyatomic bond dissociation: Reaction force analysis
Jane S. Murray et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Reaction Force and Its Link to Diabatic Analysis: A Unifying Approach to Analyzing Chemical Reactions
Peter Politzer et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2010)
Dynamics of 1,3-Dipolar Cycloadditions: Energy Partitioning of Reactants and Quantitation of Synchronicity
Lai Xu et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)
Is an elementary reaction step really elementary? Theoretical decomposition of asynchronous concerted mechanisms
Vanessa Labet et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)
Enhanced detonation sensitivities of silicon analogs of PETN: reaction force analysis and the role of σ-hole interactions
Jane S. Murray et al.
THEORETICAL CHEMISTRY ACCOUNTS (2010)
Analysis of diatomic bond dissociation and formation in terms of the reaction force and the position-dependent reaction force constant
Jane S. Murray et al.
JOURNAL OF MOLECULAR MODELING (2009)
The reaction force and the transition region of a reaction
Alejandro Toro-Labbe et al.
JOURNAL OF MOLECULAR MODELING (2009)
Reaction Force Analysis of Solvent Effects in the Addition of HCl to Propene
Jaroslav V. Burda et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2009)
Theoretical Study of the Regioselectivity of [2+2] Photocycloaddition Reactions of Acrolein with Olefins
Pablo Jaque et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2009)
Reaction force analyses of nitro-aci tautomerizations of trinitromethane, the elusive trinitromethanol, picric acid and 2,4-dinitro-1H-imidazole
Jane S. Murray et al.
THEORETICAL CHEMISTRY ACCOUNTS (2009)
Reaction force constant and projected force constants of vibrational modes along the path of an intramolecular proton transfer reaction
Pablo Jaque et al.
CHEMICAL PHYSICS LETTERS (2008)
Theory of 1,3-dipolar cycloadditions: Distortion/interaction and frontier molecular orbital models
Daniel H. Ess et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
Distortion/Interaction energy control of 1,3-dipolar cycloaddition reactivity
Daniel H. Ess et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2007)
Reaction force decomposition of activation barriers to elucidate solvent effects
Jaroslav V. Burda et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2007)
A new perspective on chemical and physical processes: the reaction force
A. Toro-Labbe et al.
MOLECULAR PHYSICS (2007)
Reaction force analysis of the effect of Mg(II) on the 1,3 intramolecular hydrogen transfer in thymine
Elizabeth Rincon et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2006)
Analysis of the reaction force for a gas phase SN2 process:: CH3Cl+H2O→CH3OH+HCl
P Politzer et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2006)
Performance of density functional theory methods to describe intramolecular hydrogen shifts
N González-Rivas et al.
JOURNAL OF CHEMICAL SCIENCES (2005)
Analysis of two intramolecular proton transfer processes in terms of the reaction force
A Toro-Labbé et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Oxidative addition of Pd to C-H, C-C and C-Cl bonds: Importance of relativistic effects in DFT calculations
A Diefenbach et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Femtochemistry: Atomic-scale dynamics of the chemical bond
AH Zewail
JOURNAL OF PHYSICAL CHEMISTRY A (2000)