Difficulties of Popular Density Functionals to Describe the Conformational Isomerism in Iodoacetic Acid

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Difficulties of Popular Density Functionals to Describe the Conformational Isomerism in Iodoacetic Acid

Author: Wagner, J. Philipp
Tübinger Autor(en):
Wagner, J. Philipp
Published in: Journal of Physical Chemistry A (2020), Bd. 124, H. 27, S. 5570-5579
Verlagsangabe: Amer Chemical Soc
Language: English
Full text: http://dx.doi.org/10.1021/acs.jpca.0c03322
ISSN: 1520-5215
DDC Classifikation: 530 - Physics
540 - Chemistry and allied sciences
Dokumentart: Artikel
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