The water dimer reaction OH + (H2O)2 → (H2O)–OH + H2O

Aifang Gao; Guoliang Li; Bin Peng; Yaoming Xie; Henry F. Schaefer

doi:10.1039/c7cp03233a

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The water dimer reaction OH + (H₂O)₂ → (H₂O)–OH + H₂O

Aifang Gao Guoliang Li Bin Peng Yaoming Xie Henry F. Schaefer

Year: 2017 Journal: Physical Chemistry Chemical Physics Vol: 19 (28)Pages: 18279-18287 Publisher: Royal Society of Chemistry

DOI: 10.1039/c7cp03233a

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Abstract

The stationary points, including the entrance complex, transition states, and the exit complex, for the reaction OH + (H₂O)₂ → (H₂O)OH + H₂O have been carefully examined using the “gold standard” CCSD(T) method with the correlation-consistent basis sets up to cc-pVQZ.

Keywords:

Dimer Chemistry Chemical reaction kinetics Physical chemistry Chemical kinetics Analytical Chemistry (journal) Crystallography Physics Kinetics

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Spectroscopy and Quantum Chemical Studies

Physical Sciences → Physics and Astronomy → Atomic and Molecular Physics, and Optics

Advanced Chemical Physics Studies

Physical Sciences → Physics and Astronomy → Atomic and Molecular Physics, and Optics

Marine and coastal ecosystems

Physical Sciences → Earth and Planetary Sciences → Oceanography

The water dimer reaction OH + (H₂O)₂ → (H₂O)–OH + H₂O

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The water dimer reaction OH + (H2O)2 → (H2O)–OH + H2O

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