Ultra-selective high-flux membranes from directly synthesized zeolite nanosheets MY Jeon, D Kim, P Kumar, PS Lee, N Rangnekar, P Bai, M Shete, ...
Nature 543 (7647), 690-694, 2017
475 2017 First-principles molecular dynamics study of a deep eutectic solvent: Choline chloride/urea and its mixture with water EO Fetisov, DB Harwood, IFW Kuo, SEE Warrag, MC Kroon, CJ Peters, ...
The Journal of Physical Chemistry B 122 (3), 1245-1254, 2018
159 2018 Supersaturated calcium carbonate solutions are classical K Henzler, EO Fetisov, M Galib, MD Baer, BA Legg, C Borca, JM Xto, ...
Science advances 4 (1), eaao6283, 2018
134 2018 One-dimensional intergrowths in two-dimensional zeolite nanosheets and their effect on ultra-selective transport P Kumar, DW Kim, N Rangnekar, H Xu, EO Fetisov, S Ghosh, H Zhang, ...
Nature materials 19 (4), 443-449, 2020
101 2020 First principles Monte Carlo simulations of unary and binary adsorption: CO 2, N 2, and H 2 O in Mg-MOF-74 EO Fetisov, MS Shah, JR Long, M Tsapatsis, JI Siepmann
Chemical communications 54 (77), 10816-10819, 2018
38 2018 Structure and phase behavior of mixed self-assembled alkanethiolate monolayers on gold nanoparticles: a Monte Carlo study EO Fetisov, JI Siepmann
The Journal of Physical Chemistry B 120 (8), 1972-1978, 2016
30 2016 Monte Carlo for Complex Chemical Systems—Minnesota JI Siepmann, MG Martin, B Chen, CD Wick, JM Stubbs, JJ Potoff, ...
University of Minnesota: Minneapolis, MN. Google Scholar There is no …, 2017
26 2017 Mercury capture from petroleum using deep eutectic solvents SEE Warrag, EO Fetisov, DJGP Van Osch, DB Harwood, MC Kroon, ...
Industrial & Engineering Chemistry Research 57 (28), 9222-9230, 2018
25 2018 First-Principles Monte Carlo simulations of reaction equilibria in compressed vapors EO Fetisov, IFW Kuo, C Knight, J VandeVondele, T Van Voorhis, ...
ACS central science 2 (6), 409-415, 2016
21 2016 Influence of Ion Pairing in Inter-Ring Haptotropic Rearrangements in Cationic Cyclopentadienyl Complexes of Ruthenium with Naphthalene: A DFT Investigation EO Fetisov, IP Gloriozov, YF Oprunenko, JY Saillard, S Kahlal
Organometallics 32 (12), 3512-3520, 2013
19 2013 Understanding the Reactive Adsorption of H2 S and CO2 in Sodium‐Exchanged Zeolites EO Fetisov, MS Shah, C Knight, M Tsapatsis, JI Siepmann
ChemPhysChem 19 (4), 512-518, 2018
17 2018 Nanometer-scale correlations in aqueous salt solutions EO Fetisov, CJ Mundy, GK Schenter, CJ Benmore, JL Fulton, ...
The Journal of Physical Chemistry Letters 11 (7), 2598-2604, 2020
14 2020 Partial molar properties from molecular simulation using multiple linear regression TR Josephson, R Singh, MS Minkara, EO Fetisov, JI Siepmann
Molecular Physics 117 (23-24), 3589-3602, 2019
13 2019 Prediction of vapor–liquid coexistence properties and critical points of polychlorinated biphenyls from Monte Carlo simulations with the TraPPE–EH force field EO Fetisov, JI Siepmann
Journal of Chemical & Engineering Data 59 (10), 3301-3306, 2014
13 2014 C2 adsorption in zeolites: in silico screening and sensitivity to molecular models MS Shah, EO Fetisov, M Tsapatsis, JI Siepmann
Molecular Systems Design & Engineering 3 (4), 619-626, 2018
12 2018 DFT study of intramolecular interring η 6, η 6-haptotropic rearrangements in tricarbonylchromium complexes of 2-aminobiphenyl and 4-aminobiphenyl CJ Czerwinski, EO Fetisov, IP Gloriozov, YF Oprunenko
Dalton Transactions 42 (29), 10487-10494, 2013
11 2013 Thermally induced inter-ring haptotropic rearrangements in π-complexes of molybdenum with nitrogen containing polyaromatic heterocycles: A DFT study EO Fetisov, IP Gloriozov, MS Nechaev, S Kahlal, JY Saillard, ...
Journal of Organometallic Chemistry 830, 212-218, 2017
5 2017 Electric Potentials of Metastable Salt Clusters EO Fetisov, WC Isley III, GJ Lumetta, SM Kathmann
The Journal of Physical Chemistry C 123 (22), 14010-14023, 2019
4 2019 DFT study of dihydrogen addition to molybdenum π-heteroaromatic complexes: a prerequisite step for the catalytic hydrodenitrogenation process EO Fetisov, IP Gloriozov, DA Kissounko, MS Nechaev, S Kahlal, ...
New Journal of Chemistry 39 (11), 8915-8921, 2015
3 2015 The Statistical Mechanics of Solution-Phase Nucleation: CaCO Revisited EO Fetisov, MD Baer, JI Siepmann, GK Schenter, SM Kathmann, ...
Foundations of Molecular Modeling and Simulation: Select Papers from FOMMS …, 2021
2 2021