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Theoretical Description, Synthesis, and Structural Characterization of beta-Na0.33V2O5 and Its Fluorinated Derivative beta-Na0.33V2O4.67F0.33: Influence of Oxygen Substitution by Fluorine on the Electrochemical Properties Cordoba R, Goclon J, Kuhn A, Garcia-Alvarado F Inorganic Chemistry, 59(22), 16361, 2020 |
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Investigation of the interfacial properties of polyurethane/carbon nanotube hybrid composites: A molecular dynamics study Goclon J, Panczyk T, Winkler K Applied Surface Science, 433, 213, 2018 |
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Computational insight into the mechanism of O-2 to H2O2 reduction on amino-groups-containing g-C3N4 Goclon J, Winkler K Applied Surface Science, 462, 134, 2018 |
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Impact of vacancy defects in single-walled carbon nanotube on the structural properties of covalently attached aromatic diisocyanates Kozlowska M, Goclon J, Rodziewicz P Applied Surface Science, 362, 1, 2016 |
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Structural flexibility of the sulfur mustard molecule at finite temperature from Car-Parrinello molecular dynamics simulations Lach J, Goclon J, Rodziewicz P Journal of Hazardous Materials, 306, 269, 2016 |
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Covalent functionalization of single-walled carbon nanotubes through attachment of aromatic diisocyanate molecules from first principles Goclon J, Kozlowska M, Rodziewicz P Chemical Physics Letters, 619, 103, 2015 |
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Noncovalent functionalization of single-walled carbon nanotubes by aromatic diisocyanate molecules: A computational study Goclon J, Kozlowska M, Rodziewicz P Chemical Physics Letters, 598, 10, 2014 |
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Geometry changes upon S-0 -> S-1 electronic excitation of aniline derivatives Pirowska K, Kolek P, Goclon J, Najbar J Chemical Physics Letters, 387(1-3), 165, 2004 |