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- W1993512200 abstract "Abstract The structural and vibrational properties of an isolated CaF 2 molecule are compared with those calculated for a CaF 2 molecule in an Ar matrix. A polarizable ionic interaction model is shown to describe the molecule rather well and to account for the matrix effects on the molecular properties which are apparent when spectroscopic results for the gas-phase and matrix are compared. The polarization of the Ca 2+ cation and of the Ar atoms are shown to be crucial effects in stabilizing a non-linear CaF 2 configuration in the matrix." @default.
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- W1993512200 date "1999-07-01" @default.
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- W1993512200 title "Matrix effects on the geometry of CaF2 – a consequence of polarization effects?" @default.
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- W1993512200 doi "https://doi.org/10.1016/s0009-2614(99)00610-7" @default.
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