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dc.creatorSchwartz, Maurice E.en_US
dc.creatorNaleway, Conrad A.en_US
dc.date.accessioned2006-06-15T13:26:19Z
dc.date.available2006-06-15T13:26:19Z
dc.date.issued1971en_US
dc.identifier1971-P-5en_US
dc.identifier.urihttp://hdl.handle.net/1811/8774
dc.descriptionAuthor Institution: Department of Chemistry, University of Notre Dameen_US
dc.description.abstractThe study of the excess electron in solution is of current interest to both the experimentalist and the theorist. We have begun a study of such electrons by use of “ab initio” SCF MO calculations on small clusters of water molecules and an extra electron. As a first approach rigorous calculations have been performed on a system of two water molecules and an extra electron for a number of different geometries. These calculations showed that the most stable configuration of ($H_{2}O)_{2}$ also produces the best agreement of calculated excitation energy (1.9eV) with experimental excitation energy (1.7 to 2.0 eV). Further studies are underway on clusters of three and four water molecules.en_US
dc.format.extent82142 bytes
dc.format.mimetypeimage/jpeg
dc.language.isoEnglishen_US
dc.publisherOhio State Universityen_US
dc.titleTHEORETICAL STUDY OF THE "HYDRATED" ELECTRONen_US
dc.typearticleen_US


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