Dynamics of the OH( = 1,2,4) + O3 atmospheric reaction

Literature Information

Publication Date 2001-03-20
DOI 10.1039/B010149O
Impact Factor 3.676
Authors

L. Zhang, A. J. C. Varandas


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Abstract

We report a theoretical dynamics study of the title five-atom atmospheric reaction using the quasiclassical trajectory method and a realistic double many-body expansion potential energy surface recently reported for HO4(2A). A comparison with available results on the OH() quenching based on nonreactive collisions is also presented. The results indicate that vibrational excitation strongly enhances reactivity, with removal of vibrationally excited OH occurring predominantly through chemical reaction.

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Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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