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Ab Initio Study of the Interaction of CHX 3 (X = H, F, Cl, or Br) with Benzene and Hexafluorobenzene

✍ Scribed by Keefe, C. Dale; Isenor, Merrill


Book ID
127186227
Publisher
American Chemical Society
Year
2008
Tongue
English
Weight
147 KB
Volume
112
Category
Article
ISSN
1089-5639

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A systematic ab initio investigation of the complexes rationalized in terms of the electrostatic fields generated by the interacting molcules. Higher binding energies have been benzene/halogen molecules is presented. For the whole halogen series, the T-shaped geometry is clearly favored calculated o