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Theoretical Studies on N2H+O Reaction

โœ Scribed by LU, Y; LU, W; SU, Z


Book ID
123285323
Publisher
Elsevier Science
Year
2008
Tongue
English
Weight
531 KB
Volume
24
Category
Article
ISSN
1005-9040

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Theoretical study on the reaction of PH+
โœ Hongbo Xu; Huiling Liu; Jianchao Song; Yan Li; Yuhong Yang; Hao Tang; Xuri Huang ๐Ÿ“‚ Article ๐Ÿ“… 2011 ๐Ÿ› Elsevier ๐ŸŒ English โš– 758 KB

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