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Title Accurate X-ray absorption spectra near L- and M-edges from relativistic four-component damped response time-dependent density functional theory Author Konečný Lukáš Co-authors Vícha Jan Komorovský Stanislav 1982 SAVANOCH - Ústav anorganickej chémie SAV Ruud Kenneth Repiský Michal Source document Inorganic Chemistry. Vol. 61, no. 2 (2022) p. 830-846 Category ADCA - Scientific papers in foreign journals registered in Current Contents Connect with IF (impacted) Category of document (from 2022) V3 - Vedecký výstup publikačnej činnosti z časopisu Type of document článok Year 2022 DOI 10.1021/acs.inorgchem.1c02412 URL URL link File name Access Size Downloaded Type License Accurate X‑ray absorption spectra near L- and M‑edges from relativistic four-component damped response time-dependent density functional theory.pdf Neprístupný/archív 4.7 MB 0 Publisher's version 
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Title Relativistic linear damped-response time-dependent density functional theory Author Konečný Lukáš Co-authors Repiský Michal Vícha Jan Ruud Kenneth Komorovský Stanislav 1982 SAVANOCH - Ústav anorganickej chémie SAV Source document XIIIth Workshop on Modern Methods in Quantum Chemistry, Mariapfarr, Austria, March 01 - 06, 2020. P. 26. - Bratislava, Slovakia : Institute of Inorganic Chemistry, Slovak Academy of Sciences, 2020 / Malkina Oľga 1956 ; Workshop on Modern Methods in Quantum Chemistry Category AFG - Abstracts of papers from foreign conferences Year 2020 article
Title Relativistic heavy-neighbor-atom effects on NMR shifts: Concepts and trends across the periodic table Author Vícha Jan Co-authors Novotný Jan Komorovský Stanislav 1982 SAVANOCH - Ústav anorganickej chémie SAV Straka Michal Kaupp Martin Marek Radek Source document Chemical Reviews. Vol. 120, no. 15 (2020), p. 7065-7103 Category ADCA - Scientific papers in foreign journals registered in Current Contents Connect with IF (impacted) Category of document (from 2022) V3 - Vedecký výstup publikačnej činnosti z časopisu Type of document článok Year 2020 DOI 10.1021/acs.chemrev.9b00785 File name Access Size Downloaded Type License Relativistic Heavy-Neighbor-Atom Effects on NMR Shifts_ Concepts and Trends Across the Periodic Table.pdf Neprístupný/archív 7 MB 2 Publisher's version article
Title Relativistic spin-orbit heavy atom on the light atom NMR chemical shifts: General trends across the periodic table explained Author Vícha Jan Co-authors Komorovský Stanislav 1982 SAVANOCH - Ústav anorganickej chémie SAV Repiský Michal Marek Radek Straka Michal Source document Journal of Chemical Theory and Computation. Vol. 14, no. 6 (2018), p. 3025-3039 Category ADCA - Scientific papers in foreign journals registered in Current Contents Connect with IF (impacted) Category of document (from 2022) V3 - Vedecký výstup publikačnej činnosti z časopisu Type of document článok Year 2018 DOI 10.1021/acs.jctc.8b00144 File name Access Size Downloaded Type License Relativistic spin-orbit heavy atom on the light atom NMR chemical shifts- General trends across the periodic table explained.pdf Neprístupný/archív 1.8 MB 2 Publisher's version article
Title Spin-orbit heavy atom on the light atom NMR chemical shifts explained Author Komorovský Stanislav 1982 SAVANOCH - Ústav anorganickej chémie SAV Co-authors Vícha Jan Repiský Michal Marek Radek Straka Michal Source document Xth Symposium on Nuclear Magnetic Resonance in Chemistry, Physics & Biological Sciences, Warsaw, Poland, September 26-28, 2018 : programme & book of abstracts. FL-19. - Warsaw, Poland : Institute of Organic Chemistry Polish Academy of Sciences, 2018 ; Symposium on Nuclear Magnetic Resonance in Chemistry, Physics & Biological Sciences Category GII - Other publications and documents which is not possible to categorize into classes/categories mentioned above Year 2018 article
Title Linking the character of the metal-ligand bond to the ligand NMR shielding in transition-metal complexes: NMR contributions from spin-orbit coupling Author Novotný Jan Co-authors Vícha Jan Bora Pankaj L. Repiský Michal Straka Michal Komorovský Stanislav 1982 SAVANOCH - Ústav anorganickej chémie SAV Marek Radek Source document Journal of Chemical Theory and Computation. Vol. 13, no. 8 (2017), p. 3586-3601 Category ADCA - Scientific papers in foreign journals registered in Current Contents Connect with IF (impacted) Category of document (from 2022) V3 - Vedecký výstup publikačnej činnosti z časopisu Type of document článok Year 2017 DOI 10.1021/acs.jctc.7b00444 URL URL link File name Access Size Downloaded Type License Linking the character of the metal-ligand bond .....pdf Neprístupný/archív 7.1 MB 1 Publisher's version article