Estimate of the inversion barrier in SbH3
- 1 July 1978
- journal article
- letter
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 69 (1) , 498-500
- https://doi.org/10.1063/1.436341
Abstract
Ab initio self‐consistent field calculations have been performed on the planar and pyramidal forms of SbH3. A slater orbital basis set Sb(1s,2s,3s,4s,4s′, 4s″,2p,3p,4p′, 4p″, 3d,3d′, 4d,4d′,4d″) and H(1s2s2p) was employed, and the calculated barrier is 46.2 kcal/mole. A discussion of the use of split valence Slater orbital basis sets is also present.Keywords
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