Isomerization of the methoxy radical revisited: the impact of water dimers
Literature Information
Pradeep Kumar, Partha Biswas, Biman Bandyopadhyay
Investigations carried out at MP2 and CCSD(T) levels of theory show that water dimers can compete with formic and sulfuric acids in catalyzing the isomerization of methoxy radicals in the lower troposphere. The rate coefficients for water catalyzed reactions showed opposite temperature dependence to that of acid catalyzed reactions and they were found to play an important role in determining the relative impacts of these catalysts under different atmospheric conditions.
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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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