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Pedras, M.S.C.1
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12
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85031146023
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Dukor, R. K.; Nafie, L. A. Encyclopedia of Analytical Chemistry; Vibrational Optical Activity of Pharmaceuticals and Biomolecules. John Wiley & Son: Chichester, 2000; p. 662 Nafie, L. A.; Freedman, T. B. Circular Dichroism, 2nd ed.; Vibrational optical activity theory, 2000; p. 97 Keiderling, T. A. Circular Dichroism, 2nd ed.; Peptide and protein conformational studies with vibrational circular dichroism and related spectroscopies, 2000; p. 621.
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15
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85031151493
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note
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D +50° (MeOH; c 1.0).
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17
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85031158074
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-1 width. The sum of Boltzmann weights of conformers using in the last step covers more than 90% of those of all conformers
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-1 width. The sum of Boltzmann weights of conformers using in the last step covers more than 90% of those of all conformers.
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18
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84881454506
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Gaussian, Inc., Pittsburgh PA
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Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Rega, N.; Salvador, P.; Dannenberg, J. J.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Baboul, A. G.; Stefanov, G. Liu, B. B.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Andres, J. L.; Gonzalez, C.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, Revision A.11 (Gaussian, Inc., Pittsburgh PA, 2002).
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(2002)
Gaussian 98, Revision A.11
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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 J.A., Jr.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
Rega, N.30
Salvador, P.31
Dannenberg, J.J.32
Malick, D.K.33
Rabuck, A.D.34
Raghavachari, K.35
Foresman, J.B.36
Cioslowski, J.37
Ortiz, J.V.38
Baboul, A.G.39
Stefanov, G.40
Liu, B.B.41
Liashenko, A.42
Piskorz, P.43
Komaromi, I.44
Gomperts, R.45
Martin, R.L.46
Fox, D.J.47
Keith, T.48
Al-Laham, M.A.49
Peng, C.Y.50
Nanayakkara, A.51
Challacombe, M.52
Gill, P.M.W.53
Johnson, B.54
Chen, W.55
Wong, M.W.56
Andres, J.L.57
Gonzalez, C.58
Head-Gordon, M.59
Replogle, E.S.60
Pople, J.A.61
more..
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19
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85031150376
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note
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-1), the VCD bands of compounds 2 and 4 showed moderate agreement between the observed and calculated IR and VCD spectra. However, some bands of 1 did not agree, probably, it may be attributed to the complexity of the dithiocarbamate side chain of 1 .
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21
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0028950654
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Kamano Y., Zhang H., Ichihara Y., Kizu H., Komiyama K., Pettit G.R. Tetrahedron Lett. 36:1995;2783.
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Kamano, Y.1
Zhang, H.2
Ichihara, Y.3
Kizu, H.4
Komiyama, K.5
Pettit, G.R.6
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22
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0028904861
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Zhang H., Kamano Y., Ichihara Y., Kizu H., Komiyama K., Itokawa H., Pettit G.R. Tetrahedron. 51:1995;5523.
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Tetrahedron
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Zhang, H.1
Kamano, Y.2
Ichihara, Y.3
Kizu, H.4
Komiyama, K.5
Itokawa, H.6
Pettit, G.R.7
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23
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0033612110
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Takayama H., Shimizu T., Sada H., Harada Y., Kitajima M., Aimi N. Tetrahedron. 55:1999;6841.
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Tetrahedron
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Takayama, H.1
Shimizu, T.2
Sada, H.3
Harada, Y.4
Kitajima, M.5
Aimi, N.6
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25
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85031145713
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note
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Cyclization of (S)-(-)-1 (99% ee) by thionyl chloride gave partially racemized (R)- (+)-3 (36% ee).
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