Iliaš M - Search Results

1

Relativistic Coupled-Cluster Calculations of Spectroscopic Properties of Copernicium and Flerovium Monoxides.

Kotov AA, Kozhedub YS, Glazov DA, Iliaš M, Pershina V, Shabaev VM. Kotov AA, et al. Among authors: ilias m. Chemphyschem. 2023 Mar 14;24(6):e202200680. doi: 10.1002/cphc.202200680. Epub 2023 Jan 23. Chemphyschem. 2023. PMID: 36383485

2

Theoretical predictions of properties and volatility of chlorides and oxychlorides of group-4 elements. I. Electronic structures and properties of MCl₄ and MOCl₂ (M = Ti, Zr, Hf, and Rf).

Pershina V, Borschevsky A, Iliaš M. Pershina V, et al. Among authors: ilias m. J Chem Phys. 2014 Aug 14;141(6):064314. doi: 10.1063/1.4891473. J Chem Phys. 2014. PMID: 25134578

3

Theoretical predictions of properties and volatility of chlorides and oxychlorides of group-4 elements. II. Adsorption of tetrachlorides and oxydichlorides of Zr, Hf, and Rf on neutral and modified surfaces.

Pershina V, Borschevsky A, Iliaš M, Türler A. Pershina V, et al. Among authors: ilias m. J Chem Phys. 2014 Aug 14;141(6):064315. doi: 10.1063/1.4891531. J Chem Phys. 2014. PMID: 25134579

4

Hexacarbonyls of Mo, W, and Sg: Metal-CO Bonding Revisited.

Iliaš M, Pershina V. Iliaš M, et al. Inorg Chem. 2017 Feb 6;56(3):1638-1645. doi: 10.1021/acs.inorgchem.6b02759. Epub 2017 Jan 19. Inorg Chem. 2017. PMID: 28103024

5

Carbonyl compounds of Tc, Re, and Bh: Electronic structure, bonding, and volatility.

Pershina V, Iliaš M. Pershina V, et al. Among authors: ilias m. J Chem Phys. 2018 Nov 28;149(20):204306. doi: 10.1063/1.5055066. J Chem Phys. 2018. PMID: 30501238

6

Properties and Reactivity of Hydroxides of Group 13 Elements In, Tl, and Nh from Molecular and Periodic DFT Calculations.

Pershina V, Iliaš M. Pershina V, et al. Among authors: ilias m. Inorg Chem. 2019 Aug 5;58(15):9866-9873. doi: 10.1021/acs.inorgchem.9b00949. Epub 2019 Jul 9. Inorg Chem. 2019. PMID: 31287670

7

Hyperfine Structure Constants on the Relativistic Coupled Cluster Level with Associated Uncertainties.

Haase PAB, Eliav E, Iliaš M, Borschevsky A. Haase PAB, et al. Among authors: ilias m. J Phys Chem A. 2020 Apr 23;124(16):3157-3169. doi: 10.1021/acs.jpca.0c00877. Epub 2020 Apr 8. J Phys Chem A. 2020. PMID: 32202783 Free PMC article.

8

Reactivity of the Superheavy Element 115, Mc, and Its Lighter Homologue, Bi, with Respect to Gold and Hydroxylated Quartz Surfaces from Periodic Relativistic DFT Calculations: A Comparison with Element 113, Nh.

Pershina V, Iliaš M, Yakushev A. Pershina V, et al. Among authors: ilias m. Inorg Chem. 2021 Jul 5;60(13):9796-9804. doi: 10.1021/acs.inorgchem.1c01076. Epub 2021 Jun 18. Inorg Chem. 2021. PMID: 34142795

9

Reactivity of superheavy elements Cn and Fl and of their oxides in comparison with homologous species of Hg and Pb, respectively, towards gold and hydroxylated quartz surfaces.

Pershina V, Iliaš M. Pershina V, et al. Among authors: ilias m. Dalton Trans. 2022 May 10;51(18):7321-7332. doi: 10.1039/d2dt00240j. Dalton Trans. 2022. PMID: 35482331

10

Reactivity of Group 13 Elements Tl and Element 113, Nh, and of Their Hydroxides with Respect to Various Quartz Surfaces from Periodic Relativistic DFT Calculations.

Iliaš M, Pershina V. Iliaš M, et al. Inorg Chem. 2022 Oct 10;61(40):15910-15920. doi: 10.1021/acs.inorgchem.2c02103. Epub 2022 Sep 23. Inorg Chem. 2022. PMID: 36149319

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