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0345167619
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note
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oLi in THF.
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21
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0033608110
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E. Niecke, M. Nieger, O. Schmidt, D. Gudat, W. W. Schoeller, J. Am. Chem. Soc. 1999, 121, 519-522.
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A. J. Arduengo III, H. V. R. Dias, J. C. Calabrese, F. Davidson, J. Am. Chem Soc. 1992, 114, 9724-9725.
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23
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0345599675
-
-
note
-
2) = 0.1524 and R(F) = 0.0516 for 614 parameters and 386 restraints. The p-tBu groups and two THF molecules are disordered. Crystallographic data (excluding structure factors) for the structure reported in this paper have been deposited with the Cambridge Crystallographic Data Centre as supplementary publication no. CCDC-130277. Copies of the data can be obtained free of charge on application to CCDC, 12 Union Road, Cambridge CB2 IEZ, UK (fax: (+44)1223-336-033; e-mail: deposit@ccdc.cam.ac.uk).
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0004150157
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Universität Göttingen
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Gaussian, Inc., Pittsburgh. PA
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a) M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. A. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrewski, J. V. Ortiz, J. B. Foresman, J. Cioslowski, B. B. Stefanov, A. Nanayakkara, M. Challacombe, C. Y. Peng, P. Y. Avala, W. Chen, M. W. Wong, J. L. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. Defrees, J. Baker, J. P. Stewart, M. Head- Gordon, C. Gonzalez, J. A. Pople, Gaussian-94 (Revision A.1), Gaussian, Inc., Pittsburgh. PA, 1995;
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Zakrewski, V.G.13
Ortiz, J.V.14
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Challacombe, M.19
Peng, C.Y.20
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Wong, M.W.23
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Fox, D.J.28
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Defrees, D.J.30
Baker, J.31
Stewart, J.P.32
Gordon, M.33
Gonzalez, C.34
Pople, J.A.35
more..
-
29
-
-
0345599674
-
-
note
-
o]: Σ(C(Al)) = 359.9; Σ(C(Si)) = 360.0, Σ(P) = 317.9 and 334.9°.
-
-
-
-
30
-
-
0345167617
-
-
personal communication
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W. W. Schoeller, personal communication.
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Schoeller, W.W.1
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0011083499
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A. F. Reed, L. A. Curtiss, F. Weinhold, Chem. Rev. 1988, 88, 899-926.
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A. J. Arduengo III, H. V. Rasika, D. A. Dixon. R. C. Harlow, W. J Klooster, T. F. Koetzle, J. Am. Chem. Soc. 1994, 116, 6812-6822.
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Klooster, W.J.5
Koetzle, T.F.6
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33
-
-
0345599673
-
-
note
-
The energy difference ( S → T) was performed at the CCSD(t)/6-311+G**//B3LYP/6-31+G, the triplet states were obtained on the UB3LYP-level. All values were corrected by zero point vibration corrections on the (U)B3LYP/6-31+G* level.
-
-
-
-
37
-
-
0344305200
-
-
note
-
3): 0.56.
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-
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|