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33749124991
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For calculation on the removal of diastereotopic protons in chiral alkyl carbamates, see: J. Haller, T. Hense, D. Hoppe, Liebigs Ann. 1996, 489-499.
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0346413772
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Serena Software, Bloomington, Indiana, USA
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MMX-Force Field, PCMODELV 5.0, Serena Software, Bloomington, Indiana, USA.
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PCMODELV 5.0
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26
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84913536475
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MOPAC93, QCPE, Bloomington, Indiana, USA; Keywords: PM3, EF or TS, GNORM = 0.01 ; Lithium-PM3-parametrization: E. Anders, R. Koch, P. Freunscht, J. Comput. Chem. 1993, 14, 1301-1312.
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Gaussian Inc. Pittsburgh, PA
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Gaussian 94, Revision B.2, M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. Keith, G. A. Petersson, 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, Gaussian Inc. Pittsburgh, PA, 1995.
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Frisch, M.J.1
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more..
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28
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0346413770
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note
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Details of the quantum-chemical calculations (MOPAC93 and GAUSSIAN94 archive entries) are available from E.-U.W. upon request.
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29
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0000803537
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For the description of relative topicities, see: D. Seebach, V. Prelog, Angew. Chem. 1982, 94, 696-702; Angew. Chem. Int. Ed. Engl. 1982, 21, 654-660.
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Angew. Chem.
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Seebach, D.1
Prelog, V.2
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30
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0020246368
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For the description of relative topicities, see: D. Seebach, V. Prelog, Angew. Chem. 1982, 94, 696-702; Angew. Chem. Int. Ed. Engl. 1982, 21, 654-660.
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Angew. Chem. Int. Ed. Engl.
, vol.21
, pp. 654-660
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31
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0345782732
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note
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It must be taken into account that the calculated values give the energetic differences in the gas phase and not for the compounds in solution.
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