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Theoretical Investigation of the Reaction of ClONO 2 with H 2 O on Water Clusters

✍ Scribed by Xu, Si Chuan; Zhao, Xin Sheng

Book ID
127281764
Publisher
American Chemical Society
Year
1999
Tongue
English
Weight
207 KB
Volume
103
Category
Article
ISSN
1089-5639

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The doublet potential energy surface related to the reaction between PH + and H 2 O is investigated at the B3LYP/6-311G(d), CCSD(T)/6-311+G(2df,2pd) (single-point), MP2/6-311+G(2d,p), and G3B3 levels. A total of four products are generated via two entrances and H 2 O molecule can be attacked by eith