화학공학소재연구정보센터
검색결과 : 7건
No. Article
1 Polarization Effects in Simulations of Kaolinite-Water Interfaces
Galicia-Andres E, Petrov D, Gerzabek MH, Oostenbrink C, Tunega D
Langmuir, 35(47), 15086, 2019
2 Model study on sorption of polycyclic aromatic hydrocarbons to goethite
Tunega D, Gerzabek MH, Haberhauer G, Totsche KU, Lischka H
Journal of Colloid and Interface Science, 330(1), 244, 2009
3 Ab initio molecular dynamics study of a monomolecular water layer on octahedral and tetrahedral kaolinite surfaces
Tunega D, Gerzabek MH, Lischka H
Journal of Physical Chemistry B, 108(19), 5930, 2004
4 Modeling catalytic effects of clay mineral surfaces on peptide bond formation
Aquino AJA, Tunega D, Gerzabek MH, Lischka H
Journal of Physical Chemistry B, 108(28), 10120, 2004
5 Solvent effects on hydrogen bonds - A theoretical study
Aquino AJA, Tunega D, Haberhauer G, Gerzabek MH, Lischka H
Journal of Physical Chemistry A, 106(9), 1862, 2002
6 Ab initio molecular dynamics study of adsorption sites on the (001) surfaces of 1 : 1 dioctahedral clay minerals
Tunega D, Benco L, Haberhauer G, Gerzabek MH, Lischka H
Journal of Physical Chemistry B, 106(44), 11515, 2002
7 Theoretical study of adsorption sites on the (001) surfaces of 1 : 1 clay minerals
Tunega D, Haberhauer G, Gerzabek MH, Lischka H
Langmuir, 18(1), 139, 2002