Ab Initio Molecular Orbital Study of the Reaction of GeH 2 with H 2 O and Decomposition Reactions of H 3 GeOH
β Scribed by So, Suk Ping
- Book ID
- 127046973
- Publisher
- American Chemical Society
- Year
- 2001
- Tongue
- English
- Weight
- 51 KB
- Volume
- 105
- Category
- Article
- ISSN
- 1089-5639
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π SIMILAR VOLUMES
Ab ioitio SCF MO ulculahons have been performed,for the reactants, products and reaction complex in the title rewtion. The infiuence of diffke and polarization basis functions in determining the presence of a reaction barrier was investigated. No barrier to the fonvard or reverse reactions was found
An MP4 full,SDTQ r6-311qqG d,p rrMP2 full r6-311qq Ε½ . G d,p ab initio study was performed of the reactions of formyl and isoformyl cations with H O and NH , which play an important role in flame and 2 3 interstellar chemistries. Two different confluent channels were located leading to CO q H O q r