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The geometry of t -butyl radicals: An ab initio study

✍ Scribed by Claxton, T.A.; Platt, E.; Symons, M.C.R.


Book ID
126735459
Publisher
Taylor and Francis Group
Year
1976
Tongue
English
Weight
332 KB
Volume
32
Category
Article
ISSN
0026-8976

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An ab initio study of the geometries of
✍ Tibor Pasinszki; TamΓ‘s VeszprΓ©mi; MiklΓ³s FehΓ©r πŸ“‚ Article πŸ“… 1993 πŸ› Elsevier Science 🌐 English βš– 435 KB

The equilibrium geometries of the molecules H,BNCX and HIBXCN (X =0, S, Se) have been calculated using second-order Moller-Plesset perturbation theory. All of the studied molecules are planar; HzBNCS and H,BNCSe have a linear, all others a bent frame. The potential energy curves of the BNC and BXC i