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Title Overcoming the gauge problem for g-tensor calculations in the framework of four-component DFT Author Mišenková Debora SAVANOCH - Ústav anorganickej chémie SAV Co-authors Lemken Florian SAVANOCH - Ústav anorganickej chémie SAV Repiský Michal Noga Jozef 1955 Malkina Oľga 1956 SAVANOCH - Ústav anorganickej chémie SAV Komorovský Stanislav 1982 SAVANOCH - Ústav anorganickej chémie SAV Source document CEST 2022. 18th Central European Symposium on Theoretical Chemistry 2022, Balatonszárszó, Hungary, 7th - 10th September 2022 : Program and book of abstracts. P. 49. - Hungary : Hungarian Chemical Society, 2022 ; CEST 2022. Central European Symposium on Theoretical Chemistry 2022 Category AFG - Abstracts of papers from foreign conferences Category of document (from 2022) O2 - Odborný výstup publikačnej činnosti ako časť knižnej publikácie alebo zborníka Type of document abstrakt z podujatia Year 2022 
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Title The four-component DFT method for the calculation of the EPR g-tensor using a restricted magnetically balanced basis and London atomic orbitals Author Mišenková Debora SAVANOCH - Ústav anorganickej chémie SAV Co-authors Lemken Florian SAVANOCH - Ústav anorganickej chémie SAV Repiský Michal Noga Jozef 1955 Malkina Oľga 1956 SAVANOCH - Ústav anorganickej chémie SAV Komorovský Stanislav 1982 SAVANOCH - Ústav anorganickej chémie SAV Source document Journal of Chemical Physics. Vol. 157, no. 16 (2022), art. no. 164114 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 10.1063/5.0103928 File name Access Size Downloaded Type License The four-component DFT method for the calculation of the EPR g-tensor using a restricted magnetically balanced basis and London atomic orbitals.pdf Neprístupný/archív 6.7 MB 0 Publisher's version article
Title Doubly Occupied Pair Coupled Cluster F12 Approach Author Kedžuch Stanislav Co-authors Šimunek Ján Veis Matej Noga Jozef 1955 SAVVS - Výpočtové stredisko SAV Source document Journal of Chemical Theory and Computation. Vol. 16, no. 12 (2020), p. 7372-7380 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.jctc.0c00659 File name Access Size Downloaded Type License Doubly Occupied Pair Coupled Cluster F12 Approach.pdf Neprístupný/archív 1.1 MB 4 Publisher's version article
File name Access Size Downloaded Type License Degradation of Al4C3 due to atmospheric humidity.pdf Neprístupný/archív 1.3 MB 1 Publisher's version article
Title [Ni(bpy)(mal)(H2O)3].H2O and [Ni(4,4'-dmbpy)(mal)(H2O)3].1.5H2O: syntheses, crystal structures, magnetic properties, and computational study of stacking interactions Author Uhrinová Anna Co-authors Kuchár Juraj Orendáčová Alžbeta Pitoňák Michal SAVVS - Výpočtové stredisko SAV Federič Pavol Noga Jozef 1955 SAVANOCH - Ústav anorganickej chémie SAV Černák Juraj Source document Journal of coordination chemistry. Vol. 70, no. 17 (2017), p. 2999-3018 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 10.1080/00958972.2017.1376738 article
Title A MRCC study of the isomerisation of cyclopropane Author Lang Jakub Co-authors Švaňa Matej Demel Ondřej Brabec Jiří Kedžuch Stanislav 1979 SAVANOCH - Ústav anorganickej chémie SAV Noga Jozef 1955 SAVANOCH - Ústav anorganickej chémie SAV Kowalski Karol Pittner Jiří Source document Molecular Physics. Vol. 115, no. 21-22 (2017), p. 2743-2754 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 10.1080/00268976.2017.1317112 File name Access Size Downloaded Type License A MRCC study of the isomerisation of cyclopropane.pdf Neprístupný/archív 973.3 KB 0 Publisher's version article
Title Synthesis, crystal structure, spectral characterization, and theoretical study of glycolato peroxido complexes of vanadium(V) Author Orešková Gabriela Co-authors Chrappová Jana Puškelová Jarmila Šimunek Ján Schwendt Peter Noga Jozef 1955 SAVANOCH - Ústav anorganickej chémie SAV Gyepes Róbert Source document Structural Chemistry. Vol. 27, no. 2 (2016), p. 605-615 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 2016 DOI 10.1007/s11224-015-0593-9 File name Access Size Downloaded Type License Synthesis, crystal structure, spectral characterization, and theoretical study of glycolato peroxido complexes of vanadium(V).pdf Neprístupný/archív 745.2 KB 1 Publisher's version article
Title Explicitly correlated MP2 method based on optimized Thouless expansion Author Kedžuch Stanislav 1979 SAVANOCH - Ústav anorganickej chémie SAV Co-authors Šimunek Ján Noga Jozef 1955 SAVANOCH - Ústav anorganickej chémie SAV Source document JCS - 2015. 6th JCS international symposium on theoretical chemistry, Smolenice castle, Smolenice, october 11th - 15th, 2015. P. 71. - Bratislava, Slovakia : Institute of Inorganic Chemistry, Slovak Academy of Sciences, 2015 ; JCS - 2015 Category AFH - Abstracts of papers from domestic conferences Year 2015 article
Title Large diameter multiwall nanotubes of MgB2: structural aspects and stability of superconducting nanotubular magnesium boride Author Baňacký P. Co-authors Noga Pavol Szöcs Vojtech Noga Jozef 1955 SAVANOCH - Ústav anorganickej chémie SAV Source document Physica status solidi B. Basic solid state physics. Vol. 252, no. 9 (2015), p. 2052-2058 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 2015 DOI 10.1002/pssb.201552027 article
Title Electronic structure of boron nanotubes: perspective material for nanotechnologies Author Baňacký P. Co-authors Noga Jozef 1955 SAVANOCH - Ústav anorganickej chémie SAV Szöcs Vojtech Source document Quantum Matter. Vol. 4, no. 4 (2015), p. 367-372 Category ADEB - Scientific papers in other foreign journals not registered in Current Contents Connect without IF (non-impacted) Category of document (from 2022) V3 - Vedecký výstup publikačnej činnosti z časopisu Type of document článok Year 2015 article