Hydration free energies of molecular ions from theory and simulation M Misin, MV Fedorov, DS Palmer The Journal of Physical Chemistry B 120 (5), 975-983, 2016 | 80 | 2016 |
Communication: Accurate hydration free energies at a wide range of temperatures from 3D-RISM M Misin, MV Fedorov, DS Palmer The Journal of Chemical Physics 142 (9), 2015 | 78 | 2015 |
The nanostructure of a lithium glyme solvate ionic liquid at electrified interfaces SW Coles, M Mishin, S Perkin, MV Fedorov, VB Ivaništšev Physical Chemistry Chemical Physics 19 (18), 11004-11010, 2017 | 37 | 2017 |
Graphene–ionic liquid interfacial potential drop from density functional theory-based molecular dynamics simulations H Ers, M Lembinen, M Mišin, AP Seitsonen, MV Fedorov, ... The Journal of Physical Chemistry C 124 (36), 19548-19555, 2020 | 33 | 2020 |
Predicting solvation free energies using parameter-free solvent models M Misin, DS Palmer, MV Fedorov The Journal of Physical Chemistry B 120 (25), 5724-5731, 2016 | 29 | 2016 |
Fast and general method to predict the physicochemical properties of druglike molecules using the integral equation theory of molecular liquids DS Palmer, M Misin, MV Fedorov, A Llinas Molecular Pharmaceutics 12 (9), 3420-3432, 2015 | 29 | 2015 |
3D matters! 3D-RISM and 3D convolutional neural network for accurate bioaccumulation prediction S Sosnin, M Misin, DS Palmer, MV Fedorov Journal of Physics: Condensed Matter 30 (32), 32LT03, 2018 | 20 | 2018 |
On the role of the surface charge plane position at Au (hkl)–BMImPF6 interfaces IV Voroshylova, M Lembinen, H Ers, M Mišin, VA Koverga, CM Pereira, ... Electrochimica Acta 318, 76-82, 2019 | 18 | 2019 |
Salting-out effects by pressure-corrected 3D-RISM M Misin, PA Vainikka, MV Fedorov, DS Palmer The Journal of Chemical Physics 145 (19), 2016 | 18 | 2016 |
Performance of SCAN density functional for a set of ionic liquid ion pairs K Karu, M Mišin, H Ers, J Sun, I Vladislav International Journal of Quantum Chemistry, 2018 | 10 | 2018 |
Can approximate integral equation theories accurately predict solvation thermodynamics? M Misin arXiv preprint arXiv:1704.05246, 2017 | 3 | 2017 |
Data for the article" Performance of SCAN density functional method for a set of ionic liquids" K Karu, H Ers, M Mišin, J Sun, V Ivaništšev Temple Univ., Philadelphia, PA (United States). Center for the Computational …, 2017 | 1 | 2017 |
Predicting bioaccumulation using molecular theory: A machine learning approach S Sosnin, M Misin, MV Fedorov arXiv preprint arXiv:1710.08174, 2017 | | 2017 |
Solvation thermodynamics of biomolecules from the integral equation theory of molecular liquids D Palmer, M Misin, M Fedorov Modelling Molecules and Materials–M3 MGMS Meeting, 2014 | | 2014 |
(R)-Tsitronellaali tsükliseerimise arvutuslik uurimine M Mišin Tartu Ülikool, 2013 | | 2013 |
Supplemntary Infomation: The nanostructure of a lithium glyme solvate ionic liquid at electrified interfaces SW Coles, M Mišin, S Perkin, MV Fedorov, VB Ivaništšev | | |