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Inversion Theory Levelling as new method with improved accuracy for thermodynamic parameter prediction on antioxidants [Elektronski vir]Stamenković, Nikola ; Cerkovnik, Janez, kemikSource: 3rd European NECTAR Conference [Elektronski vir] : Ljubljana, August 24th-26th, 2022 : book of abstracts (Str. 95-96)Type of material - conference contributionPublish date - 2022Language - englishCOBISS.SI-ID - 123011843
Author
Stamenković, Nikola |
Cerkovnik, Janez, kemik
Topics
antioksidanti |
DFT teoretične metode |
izravnava teorije inverzije |
entalpija disociacije vezi |
protonska afiniteta |
odstopanje relativne absolutne napake |
antioxidants |
DFT theoretical methods |
Inversion Theory Levelling |
bond dissociation enthalpy |
proton affinity |
relative absolute error deviation |
RAED
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Database name | Field | Year |
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Stamenković, Nikola | ![]() |
Cerkovnik, Janez, kemik | 08385 |
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