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The reaction between the bromine atom and the water trimer: high level theoretical studies
- Source :
- Physical chemistry chemical physics : PCCP. 24(42)
- Publication Year :
- 2022
-
Abstract
- The Br + (H2O)3→ HBr + (H2O)2OH reaction has been investigated using the CCSD(T) method with the basis sets as large as cc-pVQZ(-PP). The Br + (H2O)3reaction is also compared with related Br + H2O/(H2O)2and F/Cl + (H2O)3reactions.
- Subjects :
- General Physics and Astronomy
Physical and Theoretical Chemistry
Subjects
Details
- ISSN :
- 14639084
- Volume :
- 24
- Issue :
- 42
- Database :
- OpenAIRE
- Journal :
- Physical chemistry chemical physics : PCCP
- Accession number :
- edsair.doi.dedup.....24ab92748e2e38bb3ba7541ba291daa5