4.4 Review

Roaming

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A roaming wavepacket in the dynamics of electronically excited 2-hydroxypyridine

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Mode-specific tunneling using the Qim path: Theory and an application to full-dimensional malonaldehyde

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Quasiclassical Trajectory Studies of the Photodissociation Dynamics of NO3 from the D0 and D1 Potential Energy Surfaces

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Effect of Roaming Transition States upon Product Branching in the Thermal Decomposition of CH3NO2

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Effects of High Angular Momentum on the Unimolecular Dissociation of CD2CD2OH: Theory and Comparisons with Experiment

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A Phase Space Theory for Roaming Reactions

Duncan U. Andrews et al.

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Quantum Manifestation of Roaming in H plus MgH → Mg + H2: The Birth of Roaming Resonances

Anyang Li et al.

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Theoretical Study on the Photodissociation of Methylamine Involving S1, T1, and S0 States

Hongyan Xiao et al.

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On Routes to Ultrafast Dissociation of Polyatomic Molecules

Oksana Travnikova et al.

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Roaming Dissociation of Ethyl Radicals

Akira Matsugi

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Global ab Initio Potential Energy Surfaces for Low-Lying Doublet States of NO3

Hongyan Xiao et al.

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Shock Tube Explorations of Roaming Radical Mechanisms: The Decompositions of Isobutane and Neopentane

R. Sivaramakrishnan et al.

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Bimolecular Reactions of Vibrationally Excited Molecules. Roaming Atom Mechanism at Low Kinetic Energies

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Automated Exploration of Photolytic Channels of HCOOH: Conformational Memory via Excited-State Roaming

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Imaging the molecular channel in acetaldehyde photodissociation: roaming and transition state mechanisms

L. Rubio-Lago et al.

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

Kersey Black et al.

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Roaming Radicals

Joel M. Bowman et al.

ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 62 (2011)

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Roaming dynamics in the MgH+H→Mg+H2 reaction: Quantum dynamics calculations

Toshiyuki Takayanagi et al.

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Roaming radicals in the thermal decomposition of dimethyl ether: Experiment and theory

R. Sivaramakrishnan et al.

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Shock Tube and Theoretical Studies on the Thermal Decomposition of Propane: Evidence for a Roaming Radical Channel

R. Sivaramakrishnan et al.

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Statistical Theory for the Kinetics and Dynamics of Roaming Reactions

Stephen J. Klippenstein et al.

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Quasiclassical Trajectory Calculations of the Dissociation Dynamics of CH3CHO at High Energy Yield Many Products

Yong-Chang Han et al.

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Excited-State Roaming Dynamics in Photolysis of a Nitrate Radical

Hongyan Xiao et al.

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Roaming-mediated isomerization in the photodissociation of nitrobenzene

Michael L. Hause et al.

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Molecular elimination of methyl formate in photolysis at 234 nm: roaming vs. transition state-type mechanism

Meng-Hsuan Chao et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)

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High-dimensional ab initio potential energy surfaces for reaction dynamics calculations

Joel M. Bowman et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)

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Roaming reactions: The third way

Joel M. Bowman et al.

PHYSICS TODAY (2011)

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Permutationally Invariant Polynomial Basis for Molecular Energy Surface Fitting via Monomial Symmetrization

Zhen Xie et al.

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Roaming Pathway Leading to Unexpected Water plus Vinyl Products in C2H4OH Dissociation

Eugene Kamarchik et al.

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Roaming Radical Pathways for the Decomposition of Alkanes

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Evidence of Roaming Dynamics and Multiple Channels for Molecular Elimination in NO3 Photolysis

Michael P. Grubb et al.

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Permutationally invariant potential energy surfaces in high dimensionality

Bastiaan J. Braams et al.

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Three Reaction Pathways in the H plus HCO → H2 + CO Reaction

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Dynamics and the Failure of Transition State Theory in Alkene Hydroboration

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Quasiclassical trajectory calculations of the HO2 + NO reaction on a global potential energy surface

Chao Chen et al.

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Roaming atoms and radicals: A new mechanism in molecular dissociation

Arthur G. Suits

ACCOUNTS OF CHEMICAL RESEARCH (2008)

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Classical trajectory simulations of post-transition state dynamics

Upakarasamy Lourderaj et al.

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Roaming dynamics in acetone dissociation

Vasiliy Goncharov et al.

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Roaming dynamics in CH3CHO photodissociation revealed on a global potential energy surface

Benjamin C. Shepler et al.

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Roaming is the dominant mechanism for molecular products in acetaldehyde photodissociation

Brianna R. Heazlewood et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2008)

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Imaging nucleophilic substitution dynamics

J. Mikosch et al.

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Slice imaging of the photodissociation of acetaldehyde at 248 nm.: Evidence of a roaming mechanism

L. Rubio-Lago et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2007)

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Ab initio methods for reactive potential surfaces

Lawrence B. Harding et al.

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A direct dynamics trajectory study of F-+CH3OOHreactive collisions reveals a major Non-IRC reaction path

Jose G. Lopez et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2007)

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Photodissociation of acetaldehyde as a second example of the roaming mechanism

P. L. Houston et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2006)

Article Chemistry, Physical

The roaming atom pathway in formaldehyde decomposition

Sridhar A. Lahankar et al.

JOURNAL OF CHEMICAL PHYSICS (2006)

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An ab initio based global potential energy surface describing CH5+ → CH3++H2

Z Jin et al.

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Article Chemistry, Physical

New insights on reaction dynamics from formaldehyde photodissociation

JM Bowman et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2006)

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A reinterpretation of the mechanism of the simplest reaction at an spa-hybridized carbon atom:: H+CD4→CD3+HD

JP Camden et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2005)

Article Chemistry, Physical

An ab initio potential energy surface and vibrational states of MgH2(11A′)

H Li et al.

JOURNAL OF CHEMICAL PHYSICS (2004)

Article Multidisciplinary Sciences

The roaming atom: Straying from the reaction path in formaldehyde decomposition

D Townsend et al.

SCIENCE (2004)

Article Chemistry, Physical

A global ab initio potential energy surface for formaldehyde

XB Zhang et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2004)

Article Chemistry, Physical

Nitromethane-methyl nitrite rearrangement:: A persistent discrepancy between theory and experiment

MT Nguyen et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2003)

Article Multidisciplinary Sciences

Dynamics-driven reaction pathway in an intramolecular rearrangement

SC Ammal et al.

SCIENCE (2003)

Article Chemistry, Physical

Theoretical study of the CH3NO2 unimolecular decomposition potential energy surface

WF Hu et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2002)

Article Multidisciplinary Sciences

A SN2 reaction that avoids its deep potential energy minimum

LP Sun et al.

SCIENCE (2002)