N2+ bound quartet and sextet state potential energy curves |
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Authors: | Harry Partridge Charles W Bauschlicher James R Stallcop |
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Institution: | Research Institute for Advanced Computer Science, NASA Ames Research Center, Moffett Field, CA 94035, U.S.A.;Computational Chemistry and Aero-Thermodynamics Br., NASA Ames Research Center, Moffett Field, CA 94035, U.S.A. |
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Abstract: | Potential energy curves for the , and states of N+2 that dissociate to N () and , have been determined from a complete active space self-consistent field calculation. The state is found to be significantly bound (De = 2.68 eV) with a minimum at 1.72 Å. |
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