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16
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57349171857
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ΔδE is defined as ΔδE = ΔδE(1)- ΔδE(2).
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ΔδE is defined as ΔδE = ΔδE(1)- ΔδE(2).
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17
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0002292921
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Rappoport, Z, Apeloig, Y, Eds, Wiley: Chichester
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Takeuchi, Y.; Takayama, T. In The Chemistry of Organic Silicon Compounds, Vol. 2; Rappoport, Z., Apeloig, Y., Eds.; Wiley: Chichester, 1998; p 267.
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Takeuchi, Y.1
Takayama, T.2
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(a) Siehl, H.-U.; Müller, T.; Gauss, J.; Buzek, P.; Schleyer, P.v.R. J. Am. Chem. Soc. 1994, 116, 6384.
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Siehl, H.-U.1
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Schleyer, P.V.R.5
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20
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57349112961
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Crystal data for 1[B(C6F5)4, Si2C12H23+ B(C6F 5)4, MW, 902.53, Crystal dimension 0.38 x 0.35 x 0.24 mm3, monoclinic, space group P21/c, a, 14.2388(7) Å, b, 14.3120(6) Å, c, 18.3101(10) Å, β, 105.740(6)°, V, 3.5914(3) nm 3, Z, 4, Dcalcd, 1.669 Mg/m3 F(000, 1808, 2θmax, 52.38°, 34 103 reflections measured, of which 7138 were unique [R(int, 0.06161. The final R factor was 0.0284 with wR2, 0.0454 for 7138 observed reflections with I > 2σI, Rw, 0.0668 all data, 34 103 reflections, GOF, 0.704. The Cambridge database file is CCDC-699733
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w = 0.0668 all data, 34 103 reflections), GOF = 0.704. The Cambridge database file is CCDC-699733.
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23
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57349180391
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All computations were done using: Frisch, M. J.; et al. Gaussian 03, revision D.01; Gaussian Inc.: Pittsburgh, PA, 2003.
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All computations were done using: Frisch, M. J.; et al. Gaussian 03, revision D.01; Gaussian Inc.: Pittsburgh, PA, 2003.
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24
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7544222355
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-1 is scaled with a global scaling factor of 0.9691. Sinha, P.; Boesch, S. E.; Gu, C.; Wheeler, R. A.; Wilson, A. K. J. Phys. Chem. A 2004, 108, 9213; see Supporting Information for details.
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-1 is scaled with a global scaling factor of 0.9691. Sinha, P.; Boesch, S. E.; Gu, C.; Wheeler, R. A.; Wilson, A. K. J. Phys. Chem. A 2004, 108, 9213; see Supporting Information for details.
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