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Ab Initio Molecular Orbital Study of the Reaction of GeH 2 with H 2 O and Decomposition Reactions of H 3 GeOH

✍ 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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πŸ“œ SIMILAR VOLUMES


An ab initio molecular orbital study of
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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

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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