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

Ghanty, T. K.Ghosh, S. K.2019-09-132019-09-132002Journal of Physical Chemistry A, 2002. Vol. 106: pp. 11815-11821http://hdl.handle.net/123456789/193685183 bytestext/htmlenAb Initio CASSCFDFT InvestigationsHemi-BondedProton-Transferred StructureAb Initio CASSCF and DFT Investigations of (H2O)2+ and (H2S)2+: Hemi-Bonded vs Proton-Transferred StructureArticle