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0009609766
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Higher methods, see
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Higher methods, see: R.H. Hertwig, M.C. Holthausen, W. Koch, Z.B. Maksić, Angew. Chem. 106 (1994) 1262.
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0001549025
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For HMO calculations, see
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Nakajima, T.1
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14
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0009635654
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Semiempirical calculations, see refs. [1-4] and [7]
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Semiempirical calculations, see refs. [1-4] and [7].
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15
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0030855613
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Nendel M., Houk K.N., Tolbert L.M., Vogel E., Jiao H., Schleyer P.v.R. Angew. Chem. Int. Ed. Engl. 36:1997;748.
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16
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0009652888
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in press
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M. Nendel, K.N. Houk, L.M. Tolbert, E. Vogel, H. Jiao, P.v.R. Schleyer, J. Phys. Chem. (1998) in press.
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Nendel, M.1
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19
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0011190497
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Schleyer P.v.R., Dransfeld A., Maerker C., Jiao H., Van E. Hommes N.J.R. J. Am. Chem. Soc. 118:1996;6317.
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20
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0004133516
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Gaussian Inc., Pittsburgh, PA
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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. Peterson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, J. Cioslowski, B.B. Stefanov, A. Nanayakkara, M. Challacombe, C.Y. Peng, P.Y. Ayala, 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, Gaussian94, Gaussian Inc., Pittsburgh, PA, 1995.
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Gaussian94
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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
Peterson, 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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22
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0009589389
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The internal C-C bonds are included in the Julg parameter. If they are excluded A increases to 0.934 for 1, to 0.989 for 2, and to 0.966 for the X-ray structure
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The internal C-C bonds are included in the Julg parameter. If they are excluded A increases to 0.934 for 1, to 0.989 for 2, and to 0.966 for the X-ray structure.
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24
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0003780688
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Chapman and Hall, London
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J.B. Pedley, R.D. Naylor, S.P. Kirby, Thermochemical Data of Organic Compounds, 2nd ed., Chapman and Hall, London, 1986.
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Thermochemical Data of Organic Compounds, 2nd Ed.
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Pedley, J.B.1
Naylor, R.D.2
Kirby, S.P.3
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27
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0009626961
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Ph.D. Dissertation, TUD
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S. Schardt, Ph.D. Dissertation, TUD, 1998.
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(1998)
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Schardt, S.1
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29
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0009589578
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6h structure. The corresponding C-C bond lengths are 1.415 Å, 1.420 Å, and 1.412 Å
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6h structure. The corresponding C-C bond lengths are 1.415 Å, 1.420 Å, and 1.412 Å.
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