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1
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0542404898
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Dunitz, J. D., Ibers, J. A., Ed.; Wiley: New York
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Summaries of work in this area include (a) Dunitz, J. D. In Perspectives in Structural Chemistry; Dunitz, J. D., Ibers, J. A., Ed.; Wiley: New York, 1968; Vol. II. (b) Burkert, V.; Allinger, N. L. Molecular Mechanics; American Chemical Society: Washington, DC, 1982; pp 105, 106. (c) Dale, J. Stereochemistry and Conformational Analysis; Verlag Chemie: New York, 1978, pp 50, 207-213.
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Perspectives in Structural Chemistry
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Dunitz, J.D.1
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2
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0004151408
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American Chemical Society: Washington, DC
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Summaries of work in this area include (a) Dunitz, J. D. In Perspectives in Structural Chemistry; Dunitz, J. D., Ibers, J. A., Ed.; Wiley: New York, 1968; Vol. II. (b) Burkert, V.; Allinger, N. L. Molecular Mechanics; American Chemical Society: Washington, DC, 1982; pp 105, 106. (c) Dale, J. Stereochemistry and Conformational Analysis; Verlag Chemie: New York, 1978, pp 50, 207-213.
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(1982)
Molecular Mechanics
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Burkert, V.1
Allinger, N.L.2
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3
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0004069354
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Verlag Chemie: New York
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Summaries of work in this area include (a) Dunitz, J. D. In Perspectives in Structural Chemistry; Dunitz, J. D., Ibers, J. A., Ed.; Wiley: New York, 1968; Vol. II. (b) Burkert, V.; Allinger, N. L. Molecular Mechanics; American Chemical Society: Washington, DC, 1982; pp 105, 106. (c) Dale, J. Stereochemistry and Conformational Analysis; Verlag Chemie: New York, 1978, pp 50, 207-213.
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(1978)
Stereochemistry and Conformational Analysis
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Dale, J.1
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4
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3643074731
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Doctoral Thesis, Universitat Freiburg, West Germany
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(a) Drotloff, H.-O., Doctoral Thesis, Universitat Freiburg, West Germany, 1987.
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(1987)
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Drotloff, H.-O.1
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11
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3643085101
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Reference Ib, p 106
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Reference Ib, p 106.
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13
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84982335314
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Dunitz, J. D.; Eser, H.; Bixon, M.; Lifson, S. Helv. Chim. Acta 1967, 50, 1572.
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Helv. Chim. Acta
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Dunitz, J.D.1
Eser, H.2
Bixon, M.3
Lifson, S.4
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Ermer, O.; Vincent, B. R.; Dunitz, J. D. Isr. J. Chem. 1989, 29, 137.
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Isr. J. Chem.
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Ermer, O.1
Vincent, B.R.2
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33947086717
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Hilderbrandt, R. L.; Wieser, J. D.; Montgomery, L. K. J. Am. Chem. Soc. 1973, 95, 8598.
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Hilderbrandt, R.L.1
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0002451162
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Anet, F. A. L.; Cheng, A. K.; Wagner, J. J. J. Am. Chem. Soc. 1972, 94, 9250.
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Anet, F.A.L.1
Cheng, A.K.2
Wagner, J.J.3
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18
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3643084072
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Reference 1c, pp 50 and 208. On p 50, the ratio is given as 4:2:2
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Reference 1c, pp 50 and 208. On p 50, the ratio is given as 4:2:2.
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19
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84986519245
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Saunders: M. J. Comput. Chem. 1991, 12, 645. Free energies for several conformations have been calculated recently: Senderowitz, H.; Guarnieri, F.; Still, W. C. J. Am. Chem. Soc. 1995, 117, 8211.
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(1991)
J. Comput. Chem.
, vol.12
, pp. 645
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Saunders, M.1
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0000167458
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Saunders: M. J. Comput. Chem. 1991, 12, 645. Free energies for several conformations have been calculated recently: Senderowitz, H.; Guarnieri, F.; Still, W. C. J. Am. Chem. Soc. 1995, 117, 8211.
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J. Am. Chem. Soc.
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Senderowitz, H.1
Guarnieri, F.2
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Allinger, N. L.; Chen, K.; Lii, J.-H. J. Comput. Chem. 1996, 17, 642.
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Allinger, N.L.1
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Allinger, N. L.; Yuh, Y.; Lii, J.-H. J. Am. Chem. Soc. 1989, 111, 8551.
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84985757262
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1: Traficante, D. D. Concepts Magn. Reson. 1992, 4, 153. See also: Traficante, D. D.; Steward, L. R. Concepts Magn. Reson. 1994, 6, 131.
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Concepts Magn. Reson.
, vol.4
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Traficante, D.D.1
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84985848598
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1: Traficante, D. D. Concepts Magn. Reson. 1992, 4, 153. See also: Traficante, D. D.; Steward, L. R. Concepts Magn. Reson. 1994, 6, 131.
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(1994)
Concepts Magn. Reson.
, vol.6
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Traficante, D.D.1
Steward, L.R.2
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3643127798
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Spartan version 3.0 from Wavefunction, Inc., Irvine, CA
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Spartan version 3.0 from Wavefunction, Inc., Irvine, CA.
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29
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3643132969
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note
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Version MM3 (94) was used. The latest version of the MM3 program, which is referred to as MM3 (96), is available to academic users from the Quantum Chemistry Program Exchange and to commercial users from Tripos Associates, 1699 South Hanley St., St. Louis, MO 63144.
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30
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0004133516
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Gaussian, Inc.: Pittsburgh, PA
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Gaussian 94: Rev. E. 2, Frisch M. J.; Trucks, G. W.; Gill, P. M. W.; Johnson, B. G.; Schlegel, H. B.; Robb, M. A.; Cheesman, J. R.; Gomperts, R.; Keith, T.; Petersson, G. A.; Montgomary, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, J. V. O.; 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.; Fox, D. J.; Head-Gordon, M.; Binkley, J. S.; Gonzales, C.; Martin, R. L.; Defrees, D. J.; Baker, J.; Stewart, J. J.; Pople, J. A.; Gaussian, Inc.: Pittsburgh, PA, 1995.
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Gaussian 94: Rev. E. 2
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Frisch, M.J.1
Trucks, G.W.2
Gill, P.M.W.3
Johnson, B.G.4
Schlegel, H.B.5
Robb, M.A.6
Cheesman, J.R.7
Gomperts, R.8
Keith, T.9
Petersson, G.A.10
Montgomary, J.A.11
Raghavachari, K.12
Al-Laham, M.A.13
Zakrzewski, J.V.O.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
Fox, D.J.26
Head-Gordon, M.27
Binkley, J.S.28
Gonzales, C.29
Martin, R.L.30
Defrees, D.J.31
Baker, J.32
Stewart, J.J.33
Pople, J.A.34
more..
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31
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33947301054
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Jensen, F. R.; Bushweller, C. H.; Beck, B. H. J. Am. Chem. Soc. 1969, 91, 344.
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J. Am. Chem. Soc.
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Jensen, F.R.1
Bushweller, C.H.2
Beck, B.H.3
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35
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3643106974
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+ groups (3e or 2a): (a) Huber-Buser, E.; Dunitz, J. D. Helv. Chim. Acta 1960, 43, 760. (b) Huber-Buser, E.; Dunitz, J. D. Helv. Chim. Acta 1961, 44, 2027. (c) Huber-Buser, E.; Dunitz, J. D. Helv. Chim. Acta 1966, 49, 1821.
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Helv. Chim. Acta
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, pp. 760
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Huber-Buser, E.1
Dunitz, J.D.2
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36
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3643120502
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+ groups (3e or 2a): (a) Huber-Buser, E.; Dunitz, J. D. Helv. Chim. Acta 1960, 43, 760. (b) Huber-Buser, E.; Dunitz, J. D. Helv. Chim. Acta 1961, 44, 2027. (c) Huber-Buser, E.; Dunitz, J. D. Helv. Chim. Acta 1966, 49, 1821.
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(1961)
Helv. Chim. Acta
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, pp. 2027
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Huber-Buser, E.1
Dunitz, J.D.2
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37
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84981836097
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+ groups (3e or 2a): (a) Huber-Buser, E.; Dunitz, J. D. Helv. Chim. Acta 1960, 43, 760. (b) Huber-Buser, E.; Dunitz, J. D. Helv. Chim. Acta 1961, 44, 2027. (c) Huber-Buser, E.; Dunitz, J. D. Helv. Chim. Acta 1966, 49, 1821.
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Helv. Chim. Acta
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, pp. 1821
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Huber-Buser, E.1
Dunitz, J.D.2
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39
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3643109055
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note
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The OH groups of trans-1,6-cyclodecanediol in a 2:1 molecular compound with cis-1,6-cyclodecanediol are in the 2e positions: ref 11.
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40
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37049139759
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trans-1,6-Cyclodecanediol: (a) Ermer, O.; Dunitz, J. D. Chem. Commun. 1971, 178. (b) Ermer, O.; Dunitz, J. D.; Bernai, I. Acta Crystallogr. 1973, B29, 2278.
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(1971)
Chem. Commun.
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Ermer, O.1
Dunitz, J.D.2
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41
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0343355991
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trans-1,6-Cyclodecanediol: (a) Ermer, O.; Dunitz, J. D. Chem. Commun. 1971, 178. (b) Ermer, O.; Dunitz, J. D.; Bernai, I. Acta Crystallogr. 1973, B29, 2278.
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(1973)
Acta Crystallogr.
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Ermer, O.1
Dunitz, J.D.2
Bernai, I.3
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