화학공학소재연구정보센터
검색결과 : 8건
No. Article
1 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
2 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
3 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
4 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
5 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
6 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
7 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
8 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