An ab initio study of the geometries of
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Tibor Pasinszki; TamΓ‘s VeszprΓ©mi; MiklΓ³s FehΓ©r
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Article
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1993
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Elsevier Science
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English
β 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