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3 are 161.69 and 93.16 kJ/mol, respectively.
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1 to the electronic structure of the adduct, respectively, being calculated by applying configuration analysis to the wave function of an adduct. The one-electron and two-electron integrals have been supplied from the GAMESS program (Schmidt, M. W.; Baldridge, K. K.; Boatz, J. A.; Elbert, S. T.; Gordon, M. S.; Jensen, J. H.; Koseki, S.; Matsunaga, N.; Nguyen. K. A.; Su, S. J.; Windus, T. L.; Dupuis, M.; Montgomery, J. A. J. Comput. Chem. 1993, 14, 1347). See, for the details of analysis: Imade, M.; Hirao, H.; Omoto, K.; Fujimoto, H. J. Org. Chem. 1999, 64. 6697.
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88
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1 to the electronic structure of the adduct, respectively, being calculated by applying configuration analysis to the wave function of an adduct. The one-electron and two-electron integrals have been supplied from the GAMESS program (Schmidt, M. W.; Baldridge, K. K.; Boatz, J. A.; Elbert, S. T.; Gordon, M. S.; Jensen, J. H.; Koseki, S.; Matsunaga, N.; Nguyen. K. A.; Su, S. J.; Windus, T. L.; Dupuis, M.; Montgomery, J. A. J. Comput. Chem. 1993, 14, 1347). See, for the details of analysis: Imade, M.; Hirao, H.; Omoto, K.; Fujimoto, H. J. Org. Chem. 1999, 64. 6697.
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