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Torsional Potentials of Glyoxal, Oxalyl Halides, and Their Thiocarbonyl Derivatives: Challenges for Popular Density

Diana N Tahchieva1, Dirk Bakowies1, Raghunathan Ramakrishnan1

  • 1Institute of Physical Chemistry and National Center for Computational Design and Discovery of Novel Materials (MARVEL), Department of Chemistry , University of Basel , Klingelbergstrasse 80 , CH-4056 Basel , Switzerland.

Journal of Chemical Theory and Computation
|July 17, 2018
PubMed

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