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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 103, 2005 - Issue 6-8: A Special Issue in Honour of Professor Nicholas C. Handy
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Original Articles

Quasiclassical trajectory studies of the dynamics of H2CO on a global ab initio-based potential energy surface

J.L. Rheinecker
,
X. Zhang
&
J.M. Bowman *
Pages 1067-1074 | Received 24 Aug 2004, Accepted 03 Nov 2004, Published online: 21 Feb 2007

Citations (24)

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Read on this site (3)

Joel M. Bowman. (2014) Roaming. Molecular Physics 112:19, pages 2516-2528.
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Xiaofeng Tian, Tao Gao, Na He & Zhihui Zhang. (2008) Direct ab initio molecular dynamics study of F atom reaction with methane. Molecular Physics 106:24, pages 2717-2724.
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Arthur G. Suits, Steven D. Chambreau & Sridhar A. Lahankar. (2007) State-correlated DC slice imaging of formaldehyde photodissociation: roaming atoms and multichannel branching. International Reviews in Physical Chemistry 26:4, pages 585-607.
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Articles from other publishers (21)

Xiaolin Wang, Yujun Zheng & Huan Yang. (2022) Roaming in the isotopic reactions of H + MgD and D + MgH. The European Physical Journal D 76:10.
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Xiaolin Wang, Yujun Zheng & Huan Yang. (2021) Analysis of the roaming trajectories from the dynamic and kinematic perspectives – A representative study of triatomic systems. Chemical Physics Letters 776, pages 138599.
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Arthur G. Suits. (2020) Roaming Reactions and Dynamics in the van der Waals Region. Annual Review of Physical Chemistry 71:1, pages 77-100.
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Xiaohong Wang, Paul L. Houston & Joel M. Bowman. (2017) A new (multi-reference configuration interaction) potential energy surface for H 2 CO and preliminary studies of roaming . Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 375:2092, pages 20160194.
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Nathanael M. Kidwell, Hongwei Li, Xiaohong Wang, Joel M. Bowman & Marsha I. Lester. (2016) Unimolecular dissociation dynamics of vibrationally activated CH3CHOO Criegee intermediates to OH radical products. Nature Chemistry 8:5, pages 509-514.
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Po-Yu Tsai & King-Chuen Lin. (2014) Insight into the Photodissociation Dynamical Feature of Conventional Transition State and Roaming Pathways by an Impulsive Model. The Journal of Physical Chemistry A 119:1, pages 29-38.
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Po-Yu Tsai & King-Chuen Lin. (2015) Insight into photofragment vector correlation by a multi-center impulsive model. Physical Chemistry Chemical Physics 17:29, pages 19592-19601.
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Chirantha P. Rodrigo, Subhasish Sutradhar & Hanna Reisler. (2014) Imaging Studies of Excited and Dissociative States of Hydroxymethylene Produced in the Photodissociation of the Hydroxymethyl Radical. The Journal of Physical Chemistry A 118:51, pages 11916-11925.
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Duncan U. Andrews, Scott H. Kable & Meredith J. T. Jordan. (2013) A Phase Space Theory for Roaming Reactions. The Journal of Physical Chemistry A 117:32, pages 7631-7642.
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Peng Lu, Xiao‐Yu Kuang, Hui‐Fang Li & Huai‐Qian Wang. (2011) Direct MP2 molecular dynamics studies of H atom reaction with CD 4 and CH 4 . International Journal of Quantum Chemistry 111:15, pages 4433-4442.
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Kurt M. Christoffel & Joel M. Bowman. (2009) Three Reaction Pathways in the H + HCO → H 2 + CO Reaction . The Journal of Physical Chemistry A 113:16, pages 4138-4144.
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Vasiliy Goncharov, Nuradhika Herath & Arthur G. Suits. (2008) Roaming Dynamics in Acetone Dissociation. The Journal of Physical Chemistry A 112:39, pages 9423-9428.
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Benjamin C. Shepler, Bastiaan J. Braams & Joel M. Bowman. (2008) “Roaming” Dynamics in CH 3 CHO Photodissociation Revealed on a Global Potential Energy Surface . The Journal of Physical Chemistry A 112:39, pages 9344-9351.
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Arthur G. Suits. (2008) Roaming Atoms and Radicals: A New Mechanism in Molecular Dissociation. Accounts of Chemical Research 41:7, pages 873-881.
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John D. Farnum & Joel M. Bowman. (2007) Phase Space Analysis of Formaldehyde Dissociation Branching and Comparison with Quasiclassical Trajectory Calculations. The Journal of Physical Chemistry A 111:41, pages 10376-10380.
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Jürgen Troe & Vladimir Ushakov. (2007) Classical Trajectory Study of the Reaction between H and HCO. The Journal of Physical Chemistry A 111:29, pages 6610-6614.
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John D. Farnum, Xiubin Zhang & Joel M. Bowman. (2007) Formaldehyde photodissociation: Dependence on total angular momentum and rotational alignment of the CO product. The Journal of Chemical Physics 126:13.
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Erik E. Santiso, Milen K. Kostov, Aaron M. George, Marco Buongiorno Nardelli & Keith E. Gubbins. (2007) Confinement effects on chemical reactions—Toward an integrated rational catalyst design. Applied Surface Science 253:13, pages 5570-5579.
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Erik E. Santiso, Aaron M. George, Keith E. Gubbins & Marco Buongiorno Nardelli. (2006) Effect of confinement by porous carbons on the unimolecular decomposition of formaldehyde. The Journal of Chemical Physics 125:8, pages 084711.
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Sridhar A. Lahankar, Steven D. Chambreau, Dave Townsend, Frank Suits, John Farnum, Xiubin Zhang, Joel M. Bowman & Arthur G. Suits. (2006) The roaming atom pathway in formaldehyde decomposition. The Journal of Chemical Physics 125:4.
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Joel M Bowman & Xiubin Zhang. (2006) New insights on reaction dynamics from formaldehyde photodissociation. Phys. Chem. Chem. Phys. 8:3, pages 321-332.
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