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1 Ergebnisse
1
Improving IDP theoretical chemical shift accuracy and effic..:
Bakker, Michael J.
;
Mládek, Arnošt
;
Semrád, Hugo
..
Physical Chemistry Chemical Physics. 24 (2022) 45 - p. 27678-27692 , 2022
Link:
https://doi.org/10.1039/d2cp01638a
RT Journal T1 <Title>Improving IDP theoretical chemical shift accuracy and efficiency through a combined MD/ADMA/DFT and machine learning approach</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1039_d2cp01638a&Exemplar=1&LAN=DE A1 Bakker, Michael J. A1 Mládek, Arnošt A1 Semrád, Hugo A1 Zapletal, Vojtěch A1 Pavlíková Přecechtělová, Jana PB Royal Society of Chemistry (RSC) YR 2022 SN 1463-9076 SN 1463-9084 JF Physical Chemistry Chemical Physics VO 24 IS 45 SP 27678 OP 27692 LK http://dx.doi.org/https://doi.org/10.1039/d2cp01638a DO https://doi.org/10.1039/d2cp01638a SF ELIB - SuUB Bremen
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