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 | 459 | 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 | 156 | 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 | 133 | 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 | 99 | 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 | 37 | 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 | 29 | 2016 |
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 |
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 | 25 | 2017 |
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 H2S and CO2 in Sodium‐Exchanged Zeolites EO Fetisov, MS Shah, C Knight, M Tsapatsis, JI Siepmann ChemPhysChem 19 (4), 512-518, 2018 | 16 | 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 |
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 |
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 | 12 | 2019 |
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 |