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Evgenii O. Fetisov
Evgenii O. Fetisov
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Year
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
4592017
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
1562018
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
1332018
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
992020
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
372018
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
292016
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
252018
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
252017
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
212016
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
192013
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
162018
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
142020
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
132014
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
122019
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
122018
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
112013
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
52017
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
42019
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
32015
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
22021
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