dc.creator Schwartz, Maurice E. en_US dc.creator Naleway, Conrad A. en_US dc.date.accessioned 2006-06-15T13:26:19Z dc.date.available 2006-06-15T13:26:19Z dc.date.issued 1971 en_US dc.identifier 1971-P-5 en_US dc.identifier.uri http://hdl.handle.net/1811/8774 dc.description Author Institution: Department of Chemistry, University of Notre Dame en_US dc.description.abstract The 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.extent 82142 bytes dc.format.mimetype image/jpeg dc.language.iso English en_US dc.publisher Ohio State University en_US dc.title THEORETICAL STUDY OF THE "HYDRATED" ELECTRON en_US dc.type article en_US
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