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Frontiers in Chemistry
(Feb 2023)
Editorial: Fragment-based electronic structure methods for solids
Oleksandr Loboda,
Peter Strizhak,
Robert W. Góra,
Ctirad Cervinka
Affiliations
Oleksandr Loboda
AC2T research GmbH, Wiener Neustadt, Austria
Peter Strizhak
L.V. Pysarzhevskii Institute of Physical Chemistry, National Academy of Science of Ukraine, Kyiv, Ukraine
Robert W. Góra
Wrocław University of Science and Technology, Wrocław, Poland
Ctirad Cervinka
University of Chemistry and Technology, Prague, Czechia
DOI
https://doi.org/10.3389/fchem.2023.1165201
Journal volume & issue
Vol. 11
Abstract
Read online
No abstracts available.
Keywords
DFT
GIPAW
NMR
fragment approach
embedding models
molecular crystals
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