Ab Initio CASSCF and DFT Investigations of (H2O)2+ and (H2S)2+: Hemi-Bonded vs Proton-Transferred Structure

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Date

2002

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Keywords

Ab Initio CASSCF, DFT Investigations, Hemi-Bonded, Proton-Transferred Structure

Source

Journal of Physical Chemistry A, 2002. Vol. 106: pp. 11815-11821

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