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By Heather Marie Netzloff; Ames Laboratory.; United States. Dept. of Energy. Office of Science.; United States. Dept. of Energy. Office of Scientific and Technical Information

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Lett. 1989,157,479. ( 19) Dunning, T. H. J. Chenz. Phys. 1989,90,1007. (20) Schmidt, M. ; Baldridge, K. ; Boatz, J. ; Elbert, S. ; Gordon, M. ; Jensen, J. ; Nguyen, K. ; Windus, T. L. Cfzern. 1993,1#, 1347. (21) ACES I1 is a program product of the Quantum Theory Project, University of FIorida. Authors: Stanton, J. ; Watts, J. ; Perera, S. ; Szalay, P. ; Lauderdale, W. ; Kucharski, S. ; Gwaltney, S. ; Bernholdt, D. ; Baeck, K. ; Bartlett, R. J. ; Taylor, P. ); VPROPS (Taylor, P. ; Jensen, H. J. ; Taylor, P.

Basis set = aug-cc-pVDZ, dIncludes ZPE correction. 35 Table 7. Vibrational frequencies and corresponding IR intensities for FN, isomers and transition states in the isomerizatioddecomposition PES surfaces (MP2/6-31+G(d)). Frequencies, ern-' (IR intensities. 832) TS 14 493 i, 115,307,391,423,456,516,701,898,1120,1901,2311 823 i, 115,159,328,335,442,591,699,807, 1206,1550, 1993 TS4p 109 i, 204,310,446,500,611,724,806,864-,1230,1538,2409 TS42 TS2p 728 i, 86,125,242,265,444,581,706,823,1111,1505,2046 Molecule 36 Table 8.

Znf. Ed. 1999,38,2004. O. J. Anz. Chenz. Sac. 2001,123,6308. J. Phys. Chenz. 1992,96, 1173. R. Znorg. Chent. 1996,35,7124. J. Chem. un&n 2000,4, 140. (6) Curtius, T. Ber. Dtsch. Chenz. Ges. 1890,23,3023. ; Runeberg, N. J. Mol. Sfruct. ) 1991, 234,279. (8) (a) Christe, K. ;Guertin, J. ; Pavlath, A. E. Inorg. NucE. Chem. Lett. 1966,2,83; (b) Guertin, J. ; Christe, K. ; Pavlath, A. E. Inorg. Chenz. 1966, 5, 1921; (c) Tolberg, W. ; Rewick, R. ; Stringham, R. S. hnorg. Chem. 1967,6, 1 1 5 6 . (9) (a) Christe, K.

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