Zobrazeno 1 - 10
of 226
pro vyhledávání: '"Fliegl, Heike"'
Autor:
Jinger, Rahul Kumar, Fliegl, Heike, Bast, Radovan, Dimitrova, Maria, Lehtola, Susi, Sundholm, Dage
Publikováno v:
J. Phys. Chem. A 125, 1778 (2021)
We develop a methodology for calculating, analyzing and visualizing nuclear magnetic shielding densities, which are calculated from the current density via the Biot-Savart relation. Atomic contributions to nuclear magnetic shielding constants can be
Externí odkaz:
http://arxiv.org/abs/2012.03048
Publikováno v:
J. Chem. Theory Comput. 17, 1457 (2021)
We have assessed the accuracy for magnetic properties of a set of 51 density functional approximations, including both recently published as well as already established functionals. The accuracy assessment considers a series of 27 small molecules and
Externí odkaz:
http://arxiv.org/abs/2011.06560
Autor:
Fliegl, Heike.
Universiẗat, Diss., 2006--Karlsruhe.
Externí odkaz:
http://deposit.d-nb.de/cgi-bin/dokserv?idn=981738893
http://www.uvka.de/univerlag/volltexte/2006/155/
http://www.uvka.de/univerlag/volltexte/2006/155/
Akademický článek
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Autor:
Fliegl, Heike1 heike.fliegl@kit.edu, Dimitrova, Maria2 maria.dimitrova@helsinki.fi, Berger, Raphael J. F.3 raphael.berger@sbg.ac.at, Sundholm, Dage2 sundholm@chem.helsinki.fi
Publikováno v:
Chemistry (2624-8549). Sep2021, Vol. 3 Issue 3, p1005-1021. 17p.
Autor:
Tietz, Tabea, Bruns, Oleksandra, Söhn, Linnaea, Tolksdorf, Julia, Posthumus, Etienne, Steller, Jonatan Jalle, Fliegl, Heike, Norouzi, Ebrahim, Waitelonis, Jörg, Schrade, Torsten, Sack, Harald
NFDI4Culture is establishing an infrastructure for research data on material and immaterial cultural heritage in the context of the German National Research Data Infrastructure (NFDI) in compliance with the FAIR principles. The NFDI4Culture Knowledge
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8cd4e800f99fab303a9a3379381f4f38
Autor:
Sack, Harald, Schrade, Torsten, Bruns, Oleksandra, Posthumus, Etienne, Tietz, Tabea, Norouzi, Ebrahim, Waitelonis, Jörg, Fliegl, Heike, Söhn, Linnaea, Tolksdorf, Julia, Steller, Jonatan Jalle, Guzmán, Abril Azócar, Fathalla, Said, Ihsan, Ahmad Zainul, Hofmann, Volker, Sandfeld, Stefan, Fritzen, Felix, Laadhar, Amir, Schimmler, Sonja, Mutschke, Peter
Publikováno v:
Proceedings of the Conference on Research Data Infrastructure; 2023, Vol. 1, p1-5, 5p
Autor:
Kumar, Chandan1 chandan.kumar@kjemi.uio.no, Fliegl, Heike1, Jensen, Frank2, Teale, Andrew M.1,3,4, Reine, Simen1 simen.reine@kjemi.uio.no, Kjærgaard, Thomas5 tkjaergaard@chem.au.dk
Publikováno v:
International Journal of Quantum Chemistry. Aug2018, Vol. 118 Issue 16, p1-1. 21p.
Autor:
Jinger, Rahul Kumar, Fliegl, Heike, Bast, Radovan, Dimitrova, Maria, Lehtola, Susi, Sundholm, Dage
Publikováno v:
Jinger, Fliegl, Bast, Dimitrova, Lehtola, Sundholm. Spatial Contributions to Nuclear Magnetic Shieldings. Jo
Externí odkaz:
https://hdl.handle.net/10037/24134