Force fields for molecular modeling of sarin and its simulants: DMMP and DIMP A Emelianova, EA Basharova, AL Kolesnikov, EV Arribas, EV Ivanova, ... The Journal of Physical Chemistry B 125 (16), 4086-4098, 2021 | 20 | 2021 |
Porous structure of silica colloidal crystals A Galukhin, D Bolmatenkov, A Emelianova, I Zharov, GY Gor Langmuir 35 (6), 2230-2235, 2019 | 17 | 2019 |
Closer Look at Adsorption of Sarin and Simulants on Metal–Organic Frameworks A Emelianova, A Reed, EA Basharova, AL Kolesnikov, GY Gor ACS Applied Materials & Interfaces 15 (14), 18559-18567, 2023 | 10 | 2023 |
Solvation Pressure in Spherical Mesopores: Macroscopic Theory and Molecular Simulations A Emelianova, MA Maximov, GY Gor AIChE Journal, e16542, 2020 | 7 | 2020 |
Phenomenon of non-outflow of a non-wetting liquid dispersed in nanoporous medium. The influence of modification and size of granules. AY Emelianova, SA Bortnikova, AA Belogorlov Journal of Physics: Conference Series 1099 (1), 012025, 2018 | 6 | 2018 |
Thermodynamic Fingerprints of Nanoporous Materials on the Fluids Confined in Their Pores GY Gor, CD Dobrzanski, A Emelianova Soft Matter and Biomaterials on the Nanoscale 1, 227-258, 2020 | 3 | 2020 |
Molecular Simulations of Vapor–Liquid Equilibrium of Isocyanates A Emelianova, GY Gor The Journal of Physical Chemistry B 125 (45), 12528-12538, 2021 | 2 | 2021 |
Adsorption-Induced Deformation of Zeolites 4A and 13X: Experimental and Molecular Simulation Study A Emelianova, C Balzer, G Reichenauer, GY Gor Langmuir 39 (32), 11388-11397, 2023 | 1 | 2023 |
Molecular simulation of benzene adsorption in graphitic and amorphous carbon slit pores EV Ivanova, A Emelianova, AF Khalizov, GY Gor Journal of Chemical & Engineering Data 67 (7), 1765-1778, 2022 | 1 | 2022 |
Light-driven anisotropy of 2D metal-organic framework single crystal for repeatable optical modulation YA Kenzhebayeva, NK Kulachenkov, SS Rzhevskiy, PA Slepukhin, ... Communications Materials 5 (1), 48, 2024 | | 2024 |
Uncovering rules governing small molecule partitioning into condensates through simulation A Emelianova, JA Joseph Biophysical Journal 123 (3), 494a, 2024 | | 2024 |
Molecular Simulations Study of Calcium Carbonate-Amino Acid-Dentin Interactions A Emelianova, M Maximov, TV Brinzari, A Potanin, G Gor 2022 AIChE Annual Meeting, 2022 | | 2022 |
Molecular Simulation of Mechanical Effects of Adsorption in Gas and Liquid Phase A Emelianova 2022 AIChE Annual Meeting, 2022 | | 2022 |
Application of Derjaguin-Broekhoff-De Boer Theory and Molecular Simulation for Calculation of Solvation Pressure in Spherical Mesopores A Emelianova, M Maximov, G Gor 2020 Virtual AIChE Annual Meeting, 2020 | | 2020 |
Adsorption-Induced Deformation of Faujasite Zeolites: Molecular Simulation Study A Emelianova, G Gor 2019 AIChE Annual Meeting, 2019 | | 2019 |