Prediction of acidity in acetonitrile solution with COSMO-RS

  1. Frank Eckert1,*,
  2. Ivo Leito2,*,
  3. Ivari Kaljurand2,
  4. Agnes Kütt2,
  5. Andreas Klamt2,3,
  6. Michael Diedenhofen1

Article first published online: 26 AUG 2008

DOI: 10.1002/jcc.21103

Issue

Journal of Computational Chemistry

Journal of Computational Chemistry

Volume 30, Issue 5, pages 799–810, 15 April 2009

Additional Information

How to Cite

Eckert, F., Leito, I., Kaljurand, I., Kütt, A., Klamt, A. and Diedenhofen, M. (2009), Prediction of acidity in acetonitrile solution with COSMO-RS. J. Comput. Chem., 30: 799–810. doi: 10.1002/jcc.21103

Author Information

  1. 1

    COSMOlogic GmbH & Co KG, Burscheider Str. 515, D-51381 Leverkusen, Germany

  2. 2

    University of Tartu, Institute of Chemical Physics, Jakobi 2, Tartu 51014, Estonia

  3. 3

    University of Regensburg, Institute of Physical and Theoretical Chemistry, 93040 Regensburg, Germany

*COSMOlogic GmbH & Co KG, Burscheider Str. 515, D-51381 Leverkusen, Germany

Publication History

  1. Issue published online: 23 FEB 2009
  2. Article first published online: 26 AUG 2008
  3. Manuscript Accepted: 17 JUL 2008
  4. Manuscript Revised: 2 JUL 2008
  5. Manuscript Received: 23 MAY 2008

Funded by

  • Estonian Science Foundation. Grant Numbers: 7374, 6699

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