By I. T. Platzner
Lead isotope dimension of NIST610 glass via laser ablation inductively coupled plasma mass spectrometry.
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Chem. 1992, 96, 8850-8855. (44) Allcock, H. ; Fuller, T. ; Mack, D. ; Smeltz, K. M . Macromolecules 1977, 10, 824-830. ; Lee, S. ; Sohn, Y. S. Macromolecules 1999, 32, 2188-2193. (46) Allcock, H. ; Scopelianos, A. G. Macromolecules 1983, 16, 715-719. (47) Allcock, H. ; Pucher, S. R. Macromolecules 1991, 24, 23-34. (48) Allcock, H. ; Fuller, T. J. Macromolecules 1980, 13, 1338-1345. (49) Allcock, H. ; Kwon, S. Macromolecules 1989, 22, 75-79. (50) Allcock, H. ; Crane, C. ; Morrissey, C. ; Nelson, J.
Models were built of the mm triads, mmm tetrads and mmmm pentads, in both helical and non-helical form, and the geometries were optimized by MM3 and PM3. Both MM3 and PM3 calculations support that helical isotactic tetramers and pentamers are more stable than the non-helical forms. The results of the calculations are shown in table 1. 5 f Only small differences in energy were found for the different isomers of the 3-methyl-4-vinylpyridine dimers and trimers, as the end groups were able to undergo conformation changes that affected the optimized energy of the entire molecule.
ACS Symposium Series; American Chemical Society: Washington, DC, 2002. e. shows a correlation between the enantiomeric secondary structure with the primary structure. The conformation search indicates that the helical twist starts with the third repeat unit in the oligomer. The systematic conformation search was carried out by specifying the number of rotatable bonds (n bonds) and the rotation increment in degrees (delta) in the oligomers. The systematic conformation search examined the total number of conformations, Ν and since only one increment to all rotatable bonds was set, Ν is calculated by the following expression: nbonds N = [360/delta] For each conformation achieved by this set of rotations, all internal atomic distances along with the potential energy of a conformation are computed.