Iliaš M - Search Results

1

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

2

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

3

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

4

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

5

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

6

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.

7

The DIRAC code for relativistic molecular calculations.

Saue T, Bast R, Gomes ASP, Jensen HJA, Visscher L, Aucar IA, Di Remigio R, Dyall KG, Eliav E, Fasshauer E, Fleig T, Halbert L, Hedegård ED, Helmich-Paris B, Iliaš M, Jacob CR, Knecht S, Laerdahl JK, Vidal ML, Nayak MK, Olejniczak M, Olsen JMH, Pernpointner M, Senjean B, Shee A, Sunaga A, van Stralen JNP. Saue T, et al. Among authors: ilias m. J Chem Phys. 2020 May 29;152(20):204104. doi: 10.1063/5.0004844. J Chem Phys. 2020. PMID: 32486677

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

Systematic study and uncertainty evaluation of P, T-odd molecular enhancement factors in BaF.

Haase PAB, Doeglas DJ, Boeschoten A, Eliav E, Iliaš M, Aggarwal P, Bethlem HL, Borschevsky A, Esajas K, Hao Y, Hoekstra S, Marshall VR, Meijknecht TB, Mooij MC, Steinebach K, Timmermans RGE, Touwen AP, Ubachs W, Willmann L, Yin Y; (NL-eEDM Collaboration). Haase PAB, et al. Among authors: ilias m. J Chem Phys. 2021 Jul 21;155(3):034309. doi: 10.1063/5.0047344. J Chem Phys. 2021. PMID: 34293876

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

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

84 results

Search Page

Filters