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1
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0004091130
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ed. H.-S. Kitzerow and C. Bahr, Springer, New York
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Chirality in Liquid Crystals, ed. H.-S. Kitzerow and C. Bahr, Springer, New York, 2001
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(2001)
Chirality in Liquid Crystals
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2
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0004091130
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ed. H.-S. Kitzerow and C. Bahr, Springer, New York, pp. 67-100, and references therein
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H.-G. Kubal and T. Höfer, in Chirality in Liquid Crystals, ed. H.-S. Kitzerow and C. Bahr, Springer, New York, 2001, pp. 67-100, and references therein
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(2001)
Chirality in Liquid Crystals
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Kubal, H.-G.1
Höfer In, T.2
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7
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0346034637
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S. Pieraccini M. I. Donnoli A. Ferrarini G. Gottarelli G. Licini C. Rosini S. Superchi G. P. Spada J. Org. Chem. 2003 68 519 526
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J. Org. Chem.
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Pieraccini, S.1
Donnoli, M.I.2
Ferrarini, A.3
Gottarelli, G.4
Licini, G.5
Rosini, C.6
Superchi, S.7
Spada, G.P.8
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8
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0034812111
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A. di Metteo S. M. Todd G. Gottarelli G. Solladié V. E. Williams R. P. Lemieux A. Ferrarini G. P. Spada J. Am. Chem. Soc. 2001 123 7842 7851
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J. Am. Chem. Soc.
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Di Metteo, A.1
Todd, S.M.2
Gottarelli, G.3
Solladié, G.4
Williams, V.E.5
Lemieux, R.P.6
Ferrarini, A.7
Spada, G.P.8
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23
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0001020996
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Steroids are typically large, planar and rigid polycyclic systems and therefore their HTP is substantial. For example see:
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H. Finkelmann H. Stegemeyer Ber. Bunsen-Ges. Phys. Chem. 1978 82 1302 1308
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(1978)
Ber. Bunsen-Ges. Phys. Chem.
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Finkelmann, H.1
Stegemeyer, H.2
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26
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0003888227
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G. W. Gray, Wiley, New York, pp. 120-144, and references therein
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D. G. McDonnell, in Thermotropic Liquid Crystals, ed., G. W. Gray, Wiley, New York, 1987, pp. 120-144, and references therein
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(1987)
Thermotropic Liquid Crystals, Ed.
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McDonnell, D.G.1
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32
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0000259867
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K. Tamao K. Sumitani Y. Kiso M. Zembayashi A. Fujioka S. Kodama I. Nakajima A. Minato M. Kumada Bull. Chem. Soc. Jpn. 1976 49 1958 1969
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(1976)
Bull. Chem. Soc. Jpn.
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Tamao, K.1
Sumitani, K.2
Kiso, Y.3
Zembayashi, M.4
Fujioka, A.5
Kodama, S.6
Nakajima, I.7
Minato, A.8
Kumada, M.9
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40
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0003872521
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D. Demus, J. Goodby, G. W. Gray, H.-W. Spiess and V. Vill, Wiley-VCH, Weinheim, p. 309
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The sense of the helix (whether left- or right-handed) is of no significance to this work. Nevertheless, the helices generated by additive 1 are expected to be left-handed, based on empirical rules described in Booth, C. J. in Handbook of Liquid Crystals, ed., D. Demus, J. Goodby, G. W. Gray, H.-W. Spiess and V. Vill, Wiley-VCH, Weinheim, 1998, vol. 2A, p. 309
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(1998)
Handbook of Liquid Crystals, Ed.
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41
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0347417038
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Quantum-mechanical calculations were carried out using Gaussian 98 suite of programs. Geometry optimizations were undertaken at the B3LYP/6-31G(d) and MP2/6-31G(d) levels of theory using appropriate symmetry constraints and tight convergence limits. The rotational transition states were located using the QST2 keyword. Thermodynamic correction parameters were obtained at the B3LYP/6-31G(d). Zero-point energy (ZPE) corrections were scaled by 0.9806. Gaussian 98, Revision A.7
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L. Kutulya V. Vashchensko G. Semenkova N. Shkolnikova Mol. Cryst. Liq. Cryst. 1999 331 583 591
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(1999)
Mol. Cryst. Liq. Cryst.
, vol.331
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Kutulya, L.1
Vashchensko, V.2
Semenkova, G.3
Shkolnikova, N.4
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42
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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, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, Jr., R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, A. G. Baboul, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P. M. W. Gill, B. G. Johnson, W. Chen, M. W. Wong, J. L. Andres, M. Head-Gordon, E. S. Replogle and J. A. Pople, GAUSSIAN 98 (Revision A.7), Gaussian, Inc., Pittsburgh, PA, 1998
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(1998)
GAUSSIAN 98 (Revision A.7)
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Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery Jr., J.A.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Baboul, A.G.36
Stefanov, B.B.37
Liu, G.38
Liashenko, A.39
Piskorz, P.40
Komaromi, I.41
Gomperts, R.42
Martin, R.L.43
Fox, D.J.44
Keith, T.45
Al-Laham, M.A.46
Peng, C.Y.47
Nanayakkara, A.48
Gonzalez, C.49
Challacombe, M.50
Gill, P.M.W.51
Johnson, B.G.52
Chen, W.53
Wong, M.W.54
Andres, J.L.55
Head-Gordon, M.56
Replogle, E.S.57
Pople, J.A.58
more..
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49
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59949094392
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D. M. P. Mingos, Springer, Berlin, pp. 139-197, and references therein
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W. Haase and M. A. Athanassopoulou, in Structure and Bonding, ed., D. M. P. Mingos, Springer, Berlin, 1999, vol. 94, pp. 139-197, and references therein
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(1999)
Structure and Bonding, Ed.
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Haase, W.1
Athanassopoulou In, M.A.2
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50
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33644659973
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The calculated slightly negative enthalpy of activation reflects a general deficiency of the DFT methods in precise calculation of low frequency vibrational modes
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The calculated slightly negative enthalpy of activation reflects a general deficiency of the DFT methods in precise calculation of low frequency vibrational modes
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54
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33644662076
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The geometrical parameters for each ring were calculated (HF/6-31G(d)) and corrected for H and C (benzene) van der Waals radii (1.2 Å and 1.7 Å respectively): A: d = 7.43 Å, B: d = 6.72Å, C: d = 6.66 Å
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The geometrical parameters for each ring were calculated (HF/6-31G(d)) and corrected for H and C (benzene) van der Waals radii (1.2 Å and 1.7 Å respectively): A: d = 7.43 Å, B: d = 6.72Å, C: d = 6.66 Å
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55
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33644651971
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A. Januszko, K. L. Glab, P. Kaszynski. Patel, P.-C. Chen, G. Mehl and M. D. Wand, unpublished results
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A. Januszko, K. L. Glab, P. Kaszynski. Patel, P.-C. Chen, G. Mehl and M. D. Wand, unpublished results
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60
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0003872521
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D. Demus, J. Goodby, G. W. Gray, H.-W. Spiess and V. Vill, Wiley-VCH, New York, pp. 123-129
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J. W. Goodby, in Handbook of Liquid Crystals, ed., D. Demus, J. Goodby, G. W. Gray, H.-W. Spiess and V. Vill, Wiley-VCH, New York, 1998, vol. 1, pp. 123-129
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(1998)
Handbook of Liquid Crystals, Ed.
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Goodby In, J.W.1
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61
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33644659418
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3h-symmetric
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3h-symmetric
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