dc.creator Wright, Timothy G. en_US dc.creator Miller, Terry A. en_US dc.date.accessioned 2006-06-15T15:19:33Z dc.date.available 2006-06-15T15:19:33Z dc.date.issued 1994 en_US dc.identifier 1994-FD-02 en_US dc.identifier.uri http://hdl.handle.net/1811/13037 dc.description Author Institution: Laser Spectroscopy Facility, Chemistry Department, The Ohio State university en_US dc.description.abstract The 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.extent 81918 bytes dc.format.mimetype image/jpeg dc.language.iso English en_US dc.publisher Ohio State University en_US dc.title VIBRATIONAL FREQUENCIES, IONIZATION ENERGIES AND HEATS OF FORMATION OF METHYL-SUBSTITUTED AMIDOGEN RADICALS en_US dc.type article en_US
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