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(b) Petterson, L. G. M; Bauschlicher, C. W.; Langhoff, S. R.; Partridge, H. J. Chem. Phys. 1987, 87,481.
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93
-
-
85088887164
-
-
note
-
+) ≥ 2.86 eV if the thermochemistry given in Table 1 is used.
-
-
-
-
94
-
-
33646173995
-
-
The C-H bond strength in a methyl group is given as 4.82 eV in ref 38
-
The C-H bond strength in a methyl group is given as 4.82 eV in ref 38.
-
-
-
-
95
-
-
0001998551
-
Gas Phase Ion and Neutral Thermochemistry
-
Ionization energies are taken from Lias, S. G.; Bartmess, J. E.; Liebman, J. F.; Holmes, J. L.; Levin, R. D.; Mallard, W. G. Gas Phase Ion and Neutral Thermochemistry. J. Phys. Chem. Ref. Data 1988, 17 (Suppl. 1).
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Lias, S.G.1
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Liebman, J.F.3
Holmes, J.L.4
Levin, R.D.5
Mallard, W.G.6
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96
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33845373539
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The relevance of this type of crossing and the requirements for the violation of spin conservation have been discussed previously at great length; for details, see: (a) Elkind, J. L.; Armentrout, P. B. J. Am. Chem. Soc. 1986, 108, 2765.
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Elkind, J.L.1
Armentrout, P.B.2
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101
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0031979212
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(c) Shaik, S.; Filatov, M.; Schröder, D.; Schwarz, H. Chem. Eur. J. 1998, 4, 193.
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0037742151
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(e) Schröder, D.; Shaik, S.; Schwarz, H. Acc. Chem. Res. 2000, 33, 139.
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Schröder, D.1
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104
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0000108515
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Rue, C.; Armentrout, P. B.; Kretzschmar, I.; Schröder, D.; Harvey, J. N.; Schwarz, H. J. Chem. Phys. 1999, 110, 7858.
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Rue, C.1
Armentrout, P.B.2
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Harvey, J.N.5
Schwarz, H.6
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105
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33646166287
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in press
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Brönstrup, M.; Schröder, D.; Kretzschmar, I.; Schwarz, H.; Harvey, J. N. J. Am. Chem. Soc., in press.
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J. Am. Chem. Soc.
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Brönstrup, M.1
Schröder, D.2
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