Test of the information theory of branching ratios by classical trajectory computations (original) (raw)

An experimental test of the Bernstein—Levine theory of branching ratios

John C . Polanyi

Chemical Physics, 1976

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Phase Space Prediction of Product Branching Ratios: Canonical Competitive Nonstatistical Model

Jingjing Zheng

Journal of the American …, 2009

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A Single Transition State Serves Two Mechanisms. The Branching Ratio for CH 2 O •- + CH 3 Cl on Improved Potential Energy Surfaces

Sason Shaik

The Journal of Physical Chemistry A, 2006

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Phenomenological description of the transition state, and the bond breaking and bond forming processes of selected elementary chemical reactions: an information-theoretic study

Juan ANTOLIN

Theoretical Chemistry Accounts, 2009

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Concurrent phenomena at the transition region of selected elementary chemical reactions: An information-theoretical complexity analysis

Juan ANTOLIN

International Journal of Quantum Chemistry, 2012

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The branching ratio of the O(1D)+HD reaction: A dynamical study

João Brandão

Chemical Physics Letters, 2007

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Single Transition State Serves Two Mechanisms. Ab Initio Classical Trajectory Calculations of the Substitution-Electron Transfer Branching Ratio in CH2O-+ CH3Cl

Sason Shaik

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Probabilistic representations of partial branching ratios: bridging the gap between experiments and chemical models

Nathalie Carrasco

Journal of Physics: Conference Series, 2011

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Ab Initio Energies and Product Branching Ratios for the O + C 3 H 6 Reaction

Gary DeBoer

The Journal of Physical Chemistry A, 2007

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Indirect information on reactive transition states from conservation of angular momentum

Richard Zare

Faraday Discussions of the Chemical Society, 1991

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A Product Branching Ratio Controlled by Vibrational Adiabaticity and Variational Effects: Kinetics of the H + trans-N2H2 Reactions

Jingjing Zheng

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Estimation of Critical Point in Branching Reactions: Further Examination of Gel Point Formula

Kazumi Suematsu

Journal of Statistical Physics, 1998

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The statistical theory of multi-step compound and direct reactions

Steven Koonin

Annals of Physics, 1980

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Tuning the branching ratio in a symmetric potential energy surface with a post-transition state bifurcation using external time dependence

Makrina Agaoglou

Chemical Physics Letters, 2020

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Analysis of electronically nonadiabatic chemical reactions: An information theoretic approach

ronnie Kosloff

Chemical Physics Letters, 1975

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Concurrent Phenomena at the Reaction Path of the SN2 Reaction CH3Cl + F−. Information Planes and Statistical Complexity Analysis

Rodolfo Ramirez Esquivel

Entropy, 2013

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Influence of Multiple Conformations and Paths on Rate Constants and Product Branching Ratios. Thermal Decomposition of 1-Propanol Radicals

Antonio Fernández-ramos

Journal of Physical Chemistry A, 2018

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Information-theoretical complexity for the hydrogenic abstraction reaction

Juan ANTOLIN

Molecular Physics, 2011

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Quantum Mechanical Calculation of Energy Dependence of OCl/OH Product Branching Ratio and Product Quantum State Distributions for the O( 1 D ) + HCl Reaction on All Three Contributing Electronic State Potential Energy Surfaces

Gabriel Balint-kurti

The Journal of Physical Chemistry A, 2008

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The role of precursor states in the stereo-dynamics of elementary processes

Stefano Falcinelli

Physical Chemistry Chemical Physics, 2023

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Energy distributions from decomposition of a complex H2O→OH+H on a simplified potential energy surface, as a function of total angular momentum: Comparison between classical trajectories and an RRKM-type statistical simulation

Leif Holmlid

Chemical Physics, 1989

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A new instrument for kinetics and branching ratio studies of gas phase collisional processes at very low temperatures

Olivier Durif

Review of Scientific Instruments, 2021

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Dynamics of the Reaction S(1D) + HD, H2, and D2: Isotopic Branching Ratios and Translational Energy Release

Sayed Shamsuddin

Laser Chemistry, 1994

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How does a reaction path branching take place? A classification of bifurcation events

Wolfgang Quapp

Journal of Molecular Structure, 2004

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Entropy effects in hydrocarbon conversion reactions: free-energy integrations and transition-path sampling

J. Hafner

Journal of Physics-condensed Matter, 2010

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Multi-Path Variational Transition State Theory. Rate Constant of the 1,4-Hydrogen Shift Isomerization of the 2-Cyclohexylethyl Radical

Jingjing Zheng

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ANALYSIS OF ELECTRONICALLY NONADIABATIC CHEMICAL REACTIONS: AN ENFORMATION THEORETIC APPROACH

R. Levine, Ronnie Kosloff

2000

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Correspondence of canonical and microcanonical rate constants using variational transition state theory for simple bond fissions

Lionel Raff

Chemical Physics Letters, 1990

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STATE-TO-STATE REACTION DYNAMICS: H D 2~ HD D

Charles Rettner

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Resonance Features in the Isotopic Branching Ratios for the F + HD Reaction

Haya Kornweitz

The Journal of Physical Chemistry A, 2004

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Genealogy of catalytic branching models

Andreas Greven

The Annals of Applied Probability, 2009

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Experimental and theoretical studies of the O(3P) + C2H4 reaction dynamics: Collision energy dependence of branching ratios and extent of intersystem crossing

Piergiorgio Casavecchia

The Journal of Chemical Physics, 2012

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Building Markov state models along pathways to determine free energies and rates of transitions

Benoit Roux

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Dynamical information in angular distributions of fragments from photolysis of oriented molecules

Steven Stolte

Chemical Physics Letters, 1993

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