February 1, 2001
Author(s)
J A. Harkless, W A. Lester, Jr.
… compares favorably with an experimental value of 1309.6(4.2) kJ/mol. The transition energy of the nitrogen atom from … B3LYP, 263.6 kJ/mol; PMP2, 307.5 kJ/mol; CCSD, 272.4 kJ/mol; CCSD(T), 257.7 kJ/mol; CASSCF, 237.2 kJ/mol; and …