An ab initio calculation of the potentia
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P.R. Bunker; G. Olbrich
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Article
📅
1984
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Elsevier Science
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English
⚖ 299 KB
WC have calculated 64 points on the ground electronic state potential energy surface of the silyl radical (SiHs) using the MRD CI technique. This potential surface gives an inversion barrier of 1951 cm-' and an equilibrium geometry of re = 1.480 A and ae(HSiH) = 1 1 1 .?. Using the non-rigid inverto