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Theoretical Study on the Spectroscopic Properties of CO3.−.nH2O Clusters: Extrapolation to Bulk

✍ Scribed by Arup K. Pathak; Tulsi Mukherjee; Dilip K. Maity


Publisher
John Wiley and Sons
Year
2008
Tongue
English
Weight
277 KB
Volume
9
Category
Article
ISSN
1439-4235

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The insertion reactions of the titanium atom cation Ti F into HF, HCl, H O, H S, NH , PH , CH , and SiH have been studied by ab initio molecular orbital 2 2 3 3 4 4 theory. All these reactions involve the initial formation of an intermediate complex followed by a hydrogen migration process via a tr