The water trimer reaction OH + (H2O)3 → (H2O)2OH + H2O

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

doi:10.1039/d0cp01418d

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The water trimer reaction OH + (H₂O)₃ → (H₂O)₂OH + H₂O

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

Year: 2020 Journal: Physical Chemistry Chemical Physics Vol: 22 (17)Pages: 9767-9774 Publisher: Royal Society of Chemistry

DOI: 10.1039/d0cp01418d

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Abstract

All important stationary points on the potential energy surface (PES) for the reaction OH + (H₂O)₃ → (H₂O)₂OH + H₂O have been fully optimized using the “gold standard” CCSD(T) method with the large Dunning correlation-consistent cc-pVQZ basis sets.

Keywords:

Trimer Chemistry Physical chemistry Analytical Chemistry (journal) Crystallography Dimer

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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

Atmospheric chemistry and aerosols

Physical Sciences → Earth and Planetary Sciences → Atmospheric Science

The water trimer reaction OH + (H₂O)₃ → (H₂O)₂OH + H₂O

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