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1 Ergebnisse
1
Non-Covalent Interactions Atlas Benchmark Data Sets 3: Repu..:
Kristian Kříž (6175100)
;
Martin Nováček (10182752)
;
Jan Řezáč (1279317)
https://figshare.com/articles/dataset/Non-Covalent_Interactions_Atlas_Benchmark_Data_Sets_3_Repulsive_Contacts/14096300. , 2021
Link:
https://doi.org/10.1021/acs.jctc.0c01341.s003
RT Journal T1 <Title>Non-Covalent Interactions Atlas Benchmark Data Sets 3: Repulsive Contacts</Title> UL https://suche.suub.uni-bremen.de/peid=base-ftsmithonian:oai:figshare.com:article_14096300&Exemplar=1&LAN=DE A1 Kristian Kříž (6175100) A1 Martin Nováček (10182752) A1 Jan Řezáč (1279317) YR 2021 K1 Biophysics K1 Biochemistry K1 Biotechnology K1 Biological Sciences not elsewhere classified K1 energy surface K1 revDSD-PBEP 86-D K1 CCSD K1 GFN 2-xTB K1 PM 6 method K1 Non-Covalent Interactions Atlas K1 range-separated ω B 97X functionals K1 DFT method K1 quantum-mechanical methods K1 data K1 double-hybrid functionals K1 Non-Covalent Interactions Atlas series JF https://figshare.com/articles/dataset/Non-Covalent_Interactions_Atlas_Benchmark_Data_Sets_3_Repulsive_Contacts/14096300 LK http://dx.doi.org/https://doi.org/10.1021/acs.jctc.0c01341.s003 DO https://doi.org/10.1021/acs.jctc.0c01341.s003 SF ELIB - SuUB Bremen
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