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Al-Laham, M.A.45
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Nanayakkara, A.47
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Challacombe, M.49
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more..
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(a) Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785.
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24
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0000228530
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In the other insertions, energy barriers that are much larger than 10 kcal/mol have been reported. For example, see: (a) Sakaiki, S.; Kitaura, K.; Morokuma, K.; Ohkubo, K. J. Am. Chem. Soc. 1983, 105, 2280.
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Ohkubo, K.4
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27
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0001103544
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It is well-known by the detailed theoretical analysis that the Si-H bond activation is very facile. For example, see: (a) Koga, N.; Morokuma, K. J. Am. Chem. Soc. 1993, 115, 6883.
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29
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0038817144
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note
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The sequence in the energy level (in hartree) of the σ and σ* orbitals of the heterole C-X (X = Sn, Ge, Si, C) bonds was as follows: σ: Sn(-0.3984) > Ge(-0.4330) > Si(-0.4880) > C(-0.5926); σ*: C(0.4355) > Ge(0.2527) ≥ Si(0.2404) > Sn(0.1580).
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30
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11744326498
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Sakaki, S.; Mizoe, N.; Musashi, Y.; Biswas, B.; Sugimoto, M. J. Phys. Chem. A 1998, 102, 8027.
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Sakaki, S.1
Mizoe, N.2
Musashi, Y.3
Biswas, B.4
Sugimoto, M.5
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31
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0038817145
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note
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2)Pd takes place in the P-Pd-P plane without an energy barrier.
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