Martin-Luther-Universität Halle-Wittenberg

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Publications

Citation Metrics (D. Sebastiani) via ISI Researcher ID B-4670-2008

2017

  • G. F. v. Rudorff, T. Watermann, X.-Y. Guo, D. Sebastiani
    Conformational Space of a Polyphilic Molecule with a Fluorophilic Side Chain Integrated in a DPPC Bilayer
    J. Com. Chem., 2017, 38 (9), pp 576–583   

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2003

  • A. Rapp, I. Schnell, D. Sebastiani, S.P. Brown, V. Percec and H.W. Spiess:
    Supramolecular Assembly of Dendritic Polymers Elucidated by 1H and 13C Solid-State MAS NMR Spectroscopy
    J. Am. Chem. Soc., 125, 13284-13297 (2003)   
  • D. Sebastiani:
    Ab-initio calculations of NMR parameters in condensed phases (brief review)
    Mod. Phys. Lett. B 17, 1301-1319 (2003)   
  • T.M. Alam, T.A. Friedmann, P.A. Schultz and D. Sebastiani:
    Low-temperature annealing in tetrahedral amorphous carbon thin films observed by 13C NMR spectroscopy
    Phys. Rev. B, 67, 245309 (2003)   
  • G. Goward, D. Sebastiani, I. Schnell, H.W. Spiess, H.D. Kim and H. Ishida:
    Benzoxazine Oligomers: Evidence for a Helical Structure  From Solid-State NMR Spectroscopy and DFT-Based Dynamics and Chemical  Shift Calculations
    J. Am. Chem. Soc., 125, 5792-5800 (2003)   
  • D. Sebastiani, G. Goward, I. Schnell, H.W. Spiess:
    NMR chemical shifts in proton conducting crystals from first principles
    J. Mol. Struc. (THEOCHEM), 625, 283-288 (2003)   
  • D. Sebastiani and U. Rothlisberger:
    Advances in Density Functional Based Modelling Techniques: Recent Extensions of the Car-Parrinello Approach.
    (invited article) in P. Carloni, F. Alber: Medicinal Quantum  Chemistry (Series: Methods and Principles in Medicinal Chemistry, Series  Editors: R. Mannhold, H. Kubiny, G. Folkers) Wiley-VCH, Weinheim, pages 5-39 (2003)

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