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0000336589
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0342450234
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(e) Gamba A.; Simonetta M.; Suffritti G.; Szele I.; Zollinger H. J. Chem. Soc., Perkin Trans. 2 1980, 492.
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7
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37049104872
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(f) Alcock N.W.; Greenhough T.J.; Hirst D.M.; Kemp T.J.; Payne D.R. J. Chem. Soc., Perkin Trans. 2 1980, 8.
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0003086331
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(l) Rappoport Z., Stang J.P., Eds.; Wiley: Chichester
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(l) Apeloig Y.; Müller, T. In Dicoordinated Carbocations; Rappoport Z., Stang J.P., Eds.; Wiley: Chichester, 1997, p 9.
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Apeloig, Y.1
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(b) Subramanian L.R.; Hanack M.; Chang L.W.K.; Imhoff M.A.; Schleyer P.v.R.; Effenberger F.; Kurtz W.; Stang P.J.; Dueber T.E. J. Org. Chem. 1976, 41, 4099.
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(h) Speranza M. In Dicoordinated Carbocations; Rappoport Z., Stang J. P., Eds.; Wiley: Chichester, 1997; p 157 and references cited therein.
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Speranza, M.1
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(d) Patai S., Rappoport Z., Eds.; Wiley: London
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0343311731
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Gaussian, Inc., Pittsburgh, PA
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Frisch M.J.; Trucks G.W.; Schlegel H.B.; Gill P.M.W.; Johnson B.G.; Robb M.A.; Cheeseman J.R.; Keith T.A.; Petersson G.A.; Montgomery J.A.; Raghavachari K.; Al-Laham M.A.; Zakrzewski V.G.; Ortiz J.V.; Foresman J.B.; Cioslowski J.; Stefanov B.B.; Nanayakkara A.; Challacombe M.; Peng C. Y.; Ayala P.Y.; Chen W.; Wong M.W.; Andres J.L.; Replogle E.S.; Gomperts R.; Martin R.L.; Fox D.J.; Binkley J.S.; Defrees D.J.; Baker J.; Stewart J.P.; Head-Gordon M.; Gonzalez C.; Pople J.A. GAUSSIAN94, Revision A.1; Gaussian, Inc., Pittsburgh, PA, 1995.
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GAUSSIAN94, Revision A.1
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Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Gill, P.M.W.4
Johnson, B.G.5
Robb, M.A.6
Cheeseman, J.R.7
Keith, T.A.8
Petersson, G.A.9
Montgomery, J.A.10
Raghavachari, K.11
Al-Laham, M.A.12
Zakrzewski, V.G.13
Ortiz, J.V.14
Foresman, J.B.15
Cioslowski, J.16
Stefanov, B.B.17
Nanayakkara, A.18
Challacombe, M.19
Peng, C.Y.20
Ayala, P.Y.21
Chen, W.22
Wong, M.W.23
Andres, J.L.24
Replogle, E.S.25
Gomperts, R.26
Martin, R.L.27
Fox, D.J.28
Binkley, J.S.29
Defrees, D.J.30
Baker, J.31
Stewart, J.P.32
Head-Gordon, M.33
Gonzalez, C.34
Pople, J.A.35
more..
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43
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0342876651
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-
The number denoted for TS corresponds to that of the reaction path. For example, TS1 indicates the TS for Path 1.
-
The number denoted for TS corresponds to that of the reaction path. For example, TS1 indicates the TS for Path 1.
-
-
-
-
44
-
-
0342442101
-
-
1/2 Bohr unit is the distance from the TS, showing how a geometry along the IRC is different from the TS geometry.
-
1/2 Bohr unit is the distance from the TS, showing how a geometry along the IRC is different from the TS geometry.
-
-
-
-
45
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0001324715
-
-
(a)
-
(a) Yamazaki-Nishida, S.; Cervera-March, S.; Nagano, K.J.; Anderson, M.A.; Hori, K. J. Phys. Chem. 1995, 99, 15814.
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Yamazaki-Nishida, S.1
Cervera-March, S.2
Nagano, K.J.3
Anderson, M.A.4
Hori, K.5
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46
-
-
0009647607
-
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(b)
-
(b) Nagaoka, M.; Okuno, Y.; Yamabe, T. J. Am. Chem. Soc. 1991, 113, 769.
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, vol.11
, pp. 3769
-
-
Nagaoka, M.1
Okuno, Y.2
Yamabe, T.3
-
48
-
-
0343747396
-
-
The TS structure which connects 16 and 17 was not obtained. Even if the TS exists, its energy cannot be much higher than 17.
-
The TS structure which connects 16 and 17 was not obtained. Even if the TS exists, its energy cannot be much higher than 17.
-
-
-
-
49
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-
33845278777
-
-
(a)
-
(a) McClelland, R. A.; Kanagasabapathy, V.M.; Steenken, S. J. Am. Chem. Soc. 1998, 110, 6913.
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McClelland, R.A.1
Kanagasabapathy, V.M.2
Steenken, S.3
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