Ing. Monika Všianská, Ph.D.
Researcher II, Department of Chemistry
Correspondence Address:
Kotlářská 267/2, 611 37 Brno
Office: bldg. C12/212
Kamenice 753/5
625 00 Brno
Phone: | +420 549 49 5659 |
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E‑mail: |
Total number of publications: 55
2023
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A critical comparative review of generalized gradient approximation: the ground state of Fe3Al as a test case
MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, year: 2023, volume: 31, edition: 8, DOI
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Role of vibrational entropy in impurity segregation at grain boundaries in bcc iron
Computational Materials Science, year: 2023, volume: 216, edition: January, DOI
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Theoretical study of MoSi2/TiSi2 disilicide nanocomposites with vacancies and impurities
Surfaces and Interfaces, year: 2023, volume: 42, edition: NOV, DOI
2022
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Ab initio study of phase boundaries in disilicides MoSi2, NbSi2, TaSi2 and TiSi2
Year: 2022, type: Conference abstract
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On Agreement of Experimental Data and Calculated Results in Grain Boundary Segregation
Metals, year: 2022, volume: 12, edition: 8, DOI
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Properties of MoSi2/XSi2 (X = Nb, Ta, Ti) nanocomposites from quantum-mechanical perspective
Year: 2022, type: Conference abstract
2021
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A quantum mechanical study of pressure induced changes of magnetism in austenitic stoichiometric Ni2MnSn
Year: 2021, type: Conference abstract
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AB INITIO STUDY OF SILVER NANOPARTICLES, GRAIN BOUNDARIES AND THEIR QUADRUPLE JUNCTIONS
13th International Conference on Nanomaterials - Research and Application, NANOCON 2021, year: 2021
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An Ab Initio Study of Pressure-Induced Changes of Magnetism in Austenitic Stoichiometric Ni2MnSn
Materials, year: 2021, volume: 14, edition: 3, DOI
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Entropy matters in grain boundary segregation
Acta Materialia, year: 2021, volume: 206, edition: March 2021, DOI