Ab Initio Calculations of the Rotational
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Joseph J. BelBruno
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Article
📅
1997
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John Wiley and Sons
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English
⚖ 139 KB
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The heights of the rotational barriers of the ditelluride bridge in H 2 Te 2 and (CH 3 ) 2 Te 2 have been calculated at the Hartree-Fock level with the 3-21G basis set. The minima in the rotational potential energy functions occur at torsional angles of 87.58Њ and 89.32Њ, respectively. The barriers