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dc.creatorWright, Timothy G.en_US
dc.creatorMiller, Terry A.en_US
dc.date.accessioned2006-06-15T15:19:33Z
dc.date.available2006-06-15T15:19:33Z
dc.date.issued1994en_US
dc.identifier1994-FD-02en_US
dc.identifier.urihttp://hdl.handle.net/1811/13037
dc.descriptionAuthor Institution: Laser Spectroscopy Facility, Chemistry Department, The Ohio State universityen_US
dc.description.abstractThe ground states of the $NH_{2}, CH_{3}NH$ and $CH_{3}NCH_{3}$ radicals were studied via a variety of {ab initio} methods including SCF, MP2, CCSD AND CCSD(T). Vibrational frequencies were calculated for all ground states using all methods, where possible, and with a variety of basis sets. The final value for the ionization energy (I.E.) of the $NH_{2}$ radical was within 0.05 eV of the experimental value. It was found that the I.E.s of the substituted radicals are far from the values in a recent compilation, and a re-evaluation of the literature has been performed. Ionization energies and heats of formation of the radicals are also calculated using the {Gaussian} 2 methodology.en_US
dc.format.extent81918 bytes
dc.format.mimetypeimage/jpeg
dc.language.isoEnglishen_US
dc.publisherOhio State Universityen_US
dc.titleVIBRATIONAL FREQUENCIES, IONIZATION ENERGIES AND HEATS OF FORMATION OF METHYL-SUBSTITUTED AMIDOGEN RADICALSen_US
dc.typearticleen_US


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