The influence of d orbitals on the shape of monomeric CaF2
Abstract
Extensive ab initio calculations have shown that d orbitals on Ca are responsible for the non-linearity of monomeric CaF2 and that a surprisingly large d basis on Ca is necessary.
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J. Chem. Soc., Chem. Commun., 1990, 667-669
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The influence of d orbitals on the shape of monomeric CaF2
D. M. Hassett and C. J. Marsden, J. Chem. Soc., Chem. Commun., 1990, 667 DOI: 10.1039/C39900000667
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