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An ab initio molecular orbital study of the SN2 reaction of H− with HF

✍ Scribed by Paul Baybutt

Publisher
Elsevier Science
Year
1975
Tongue
English
Weight
326 KB
Volume
30
Category
Article
ISSN
0009-2614

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✦ Synopsis

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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