| Melting properties of alkali halides and the cation-anion size difference: A molecular dynamics study D Zakiryanov, M Kobelev, N Tkachev Fluid Phase Equilibria 506, 112369, 2020 | 16 | 2020 |
| Study of local structure and ion dynamics in GdCl3-Gd2O3 and KCl-GdCl3-Gd2O3 melts: In situ Raman spectroscopy and ab initio molecular dynamics DO Zakiryanov, ID Zakiryanova, NK Tkachev Journal of Molecular Liquids 301, 112396, 2020 | 12 | 2020 |
| Ab initio molecular dynamics simulations and Raman spectra of the YbCl3-KCl and Yb2O3-YbCl3-KCl ionic melts ID Zakiryanova, DO Zakiryanov Journal of Molecular Liquids 318, 114054, 2020 | 11 | 2020 |
| The refined determination of the ion pair lifetimes in ionic liquids D Zakiryanov Computational and Theoretical Chemistry 1210, 113646, 2022 | 10 | 2022 |
| Applying the Born-Mayer model to describe the physicochemical properties of FLiNaK ternary melt DO Zakiryanov Computational and Theoretical Chemistry 1219, 113951, 2023 | 8 | 2023 |
| Calculation of liquidus curve in phase diagram LiCl-KCl by molecular dynamics simulation MA Kobelev, AS Tatarinov, DO Zakiryanov, NK Tkachev Phase Transitions 93 (5), 504-508, 2020 | 8 | 2020 |
| The FLiNaK-CeF3 molten mixture: A comprehensive structure examination by means of ab initio molecular dynamics DO Zakiryanov Journal of Molecular Liquids 360, 119400, 2022 | 7 | 2022 |
| Ab initio calculation of the structure and optical properties of lead oxyhalides Pb3O2 X 2 (X = Cl, Br, I) DO Zakiryanov, VA Chernyshev, ID Zakiryanova, TV Yaroslavtseva Physics of the Solid State 59, 710-721, 2017 | 7 | 2017 |
| The physicochemical properties of the CeF3 – FLiNaK molten mixture: an in silico study D Zakiryanov Molecular simulation 49 (8), 845-854, 2023 | 6 | 2023 |
| Local structure and dynamics of ions in LiCl-GdCl3, KCl-GdCl3 and LiCl-GdCl3-Gd2O3 melts: Ab initio molecular dynamics simulations and Raman spectroscopy ID Zakiryanova, DO Zakiryanov, PO Zakiryanov Journal of Molecular Liquids 376, 121485, 2023 | 4 | 2023 |
| Thermal conductivity of molten alkali halides: The phenomenology and molecular dynamic simulations DO Zakiryanov, NK Tkachev International Journal of Heat and Mass Transfer 181, 121863, 2021 | 4 | 2021 |
| The impact of oxide impurity on the structure of FLiNaK and FLiNaK–CeF3 melts: A simulation study D Zakiryanov Journal of Molecular Liquids 384, 122265, 2023 | 3 | 2023 |
| Thermal conductivity of alkali metal chlorides: Calculation with molecular dynamics method DO Zakiryanov, NK Tkachev High Temperature 58, 54-57, 2020 | 3 | 2020 |
| Melting properties of sodium halides: molecular dynamics simulation DO Zakiryanov, MA Kobelev, NK Tkachev Journal of Physics: Conference Series 1385 (1), 012050, 2019 | 3 | 2019 |
| Local structure and vibrational properties of molten lead halides PbX2 (X= Cl, Br, I) from ab initio molecular dynamics D Zakiryanov, N Tkachev Computational and Theoretical Chemistry 1156, 20-24, 2019 | 3 | 2019 |
| Fitting the pair potentials for molten salts: A review in brief DO Zakiryanov Electrochemical Materials and Technologies 2 (1), 20232010, 2023 | 2 | 2023 |
| DFT study on Raman frequencies of molten lead (II) chloride D Zakiryanov, N Tkachev Physics and Chemistry of Liquids 57 (4), 423-431, 2019 | 1 | 2019 |
| Simulation of dissolution of cerium trifluoride in a mixture of LIF–NaF–KF DO Zakiryanov Rasplavy, 442-450, 2024 | | 2024 |
| Compositional transferability of deep learning potentials: a case study for LiCl–KCl melt D Zakiryanov Journal of Molecular Modeling 30 (8), 283, 2024 | | 2024 |
| The basic intermediate-range order structures in the FLiNaK–LaF3–Li2O melt: identification and characterisation D Zakiryanov Physics and Chemistry of Liquids, 1-9, 2024 | | 2024 |
