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pro vyhledávání: '"Wolfram Prieß"'
Publikováno v:
Cellulose. 10:189-199
Force field methods in combination with chemical shift target functions are used to investigate the structures of cellulose I and II. Since diffraction investigations of biopolymers like cellulose II are only of poor resolution, different models for
Publikováno v:
Macromolecular Chemistry and Physics. 201:1930-1939
Using the semi-empirical bond polarization theory (BPT) it is possible for the first time to calculate the complete solid-state 13 C NMR spectra of crystalline cellulose polymorphs Iα, Iβ, and II and to model the effect of molecular motions on the
Publikováno v:
Zeitschrift für Physikalische Chemie. 168:115-128
Autor:
Wolfram Prieß, Ulrich Sternberg
Publikováno v:
Modeling NMR Chemical Shifts ISBN: 9780841236226
Modeling NMR Chemical Shifts: Gaining Insights into Structure and Environment
Modeling NMR Chemical Shifts: Gaining Insights into Structure and Environment
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fb179602605e91c94cd6f476a588ee05
https://doi.org/10.1021/bk-1999-0732.ch006
https://doi.org/10.1021/bk-1999-0732.ch006
Autor:
Wolfram Prieß, Ulrich Sternberg
Publikováno v:
Journal of magnetic resonance (San Diego, Calif. : 1997). 125(1)
The semi-empirical bond polarization theory is applied to the calculation of 13C chemical-shift tensors. This method allows prediction of shift tensors with deviations from experiment comparable to the errors of the ab initio methods. In contrast to
Autor:
JULIO C. FACELLI, ANGEL C. DE DIOS, Cynthia J. Jameson, Isao Ando, Shigeki Kuroki, Hiromichi Kurosu, Masahito Uchida, Takeshi Yamanobe, Christina M. Szabo, Lori K. Sanders, William Arnold, Joshua S. Grimley, Nathalie Godbout, Michael T. McMahon, Benjamin Moreno, Eric Oldfield, John B. Nicholas, James F. Haw, M. B. Ferraro, M. C. Caputo, C. Ridruejo, Ulrich Sternberg, Wolfram Prieß, Georg Schreckenbach, Stephen K. Wolff, Tom Ziegler, Peter B. Karadakov, Graham A. Webb, James A. England, S. Kuroki, K. Yamauchi, S. Ando, A. Shoji, T. Ozaki, Kouji Fukuyama, Minoru Sakurai, Mitsuhito Wada, Hirohiko Houjou, Naoki Asakawa, Yoshio Inoue, Jian Zhi Hu, Mark S. Solum, Ronald J. Pugmire, David M. Grant, Yufeng Wei, Ann E. McDermott, Annick Dejaegere, Richard A. Bryce, David A. Case, Ned H. Martin, Noah W. Allen, Everett K. Minga, Sal T. Ingrassia, Justin D. Brown, Jennifer L. Roach, Ann E. Walling, M. Bühl, E. A. Moore, N. J. Clayden, Myrlene Gee, Roderick E. Wasylishen, Marc Henry, J. A. Tossell, Todd M. Alam, A. Keith Jameson, Rex E. Gerald, Hyung-Mi Lim, Pavel