Probing the potential energy profile of the i + (h2o)3 hi + (h2o)2oh forward and reverse reactions: high level ccsd(t) studies with spin-orbit coupling included

HIGHLIGHTS

• who: Xinyuan Zhang and collaborators from the South China Normal University, Guangzhou, China have published the research work: Probing the Potential Energy Profile of the I + (H2O)3 HI + (H2O)2OH Forward and Reverse Reactions: High Level CCSD(T) Studies with Spin-Orbit Coupling Included, in the Journal: Molecules 2023, 28, 904. of /2023/
• what: Next, the authors compare the water trimer reaction I + (H2 O)3 with the water dimer reaction I + (H2 O)2 and the water monomer reaction I + H2 O. Structurally, the entrance complexes Iu00b7u00b7u00b7(H2 O)3, Iu00b7u00b7u00b7(H2 O . . .
  

   

  

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