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Ab initio MO study of structure and stability of X3− (X = F, Cl, Br, I) in solution

✍ Scribed by Yasushi Ogawa; Ohgi Takahashi; Osamu Kikuchi

Book ID
114142638
Publisher
Elsevier Science
Year
1998
Tongue
English
Weight
632 KB
Volume
424
Category
Article
ISSN
0166-1280

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## Abstract HF, MP2, and B3LYP calculations with different basis sets have been used in the computation of the stabilization energies of C~3~H~7~X isomers, where X is F, Cl, and Br. The experimental stabilization energies of the structural isomers of C~3~H~7~Cl and C~3~H~7~Br have been reproduced v