Pershina V - 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: pershina v. Chemphyschem. 2023 Mar 14;24(6):e202200680. doi: 10.1002/cphc.202200680. Epub 2023 Jan 23. Chemphyschem. 2023. PMID: 36383485

2

Ab initio studies of atomic properties and experimental behavior of element 119 and its lighter homologs.

Borschevsky A, Pershina V, Eliav E, Kaldor U. Borschevsky A, et al. Among authors: pershina v. J Chem Phys. 2013 Mar 28;138(12):124302. doi: 10.1063/1.4795433. J Chem Phys. 2013. PMID: 23556718 Free article.

3

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. J Chem Phys. 2014 Aug 14;141(6):064314. doi: 10.1063/1.4891473. J Chem Phys. 2014. PMID: 25134578

4

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. J Chem Phys. 2014 Aug 14;141(6):064315. doi: 10.1063/1.4891531. J Chem Phys. 2014. PMID: 25134579

5

Relativistic coupled cluster study of diatomic compounds of Hg, Cn, and Fl.

Borschevsky A, Pershina V, Eliav E, Kaldor U. Borschevsky A, et al. Among authors: pershina v. J Chem Phys. 2014 Aug 28;141(8):084301. doi: 10.1063/1.4893347. J Chem Phys. 2014. PMID: 25173008

6

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

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

7

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

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

8

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. Inorg Chem. 2019 Aug 5;58(15):9866-9873. doi: 10.1021/acs.inorgchem.9b00949. Epub 2019 Jul 9. Inorg Chem. 2019. PMID: 31287670

9

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. Inorg Chem. 2021 Jul 5;60(13):9796-9804. doi: 10.1021/acs.inorgchem.1c01076. Epub 2021 Jun 18. Inorg Chem. 2021. PMID: 34142795

10

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. Dalton Trans. 2022 May 10;51(18):7321-7332. doi: 10.1039/d2dt00240j. Dalton Trans. 2022. PMID: 35482331

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