Adelia Aquino
Dr. Adelia Aquino
Status ausgeschieden
Laufbahn
- 2004 Senior Post-doc am Inst. f. Theoretische Chemie an der Universität Wien
- 1999 - 2002 ARCS - Kooperation Brazilien-Österreich
- 1994 - 1997 Post-doc USA
Auszeichnungen
- 1999 Hertha Firnberg fellowship
- 1995 Post-doc fellowship
- 1994 Post-doc fellowship
Projekte
Es wurden 0 Projekte gefunden.
Publikationen
Wissentransfer in die Gesellschaft
Medienbeiträge
Vorträge
(2014) Molecular Modelling of Humic Substances
Autoren: Gerzabek, M.H., Aquino, A., Tunega, D., Haberhauer, G., Solc, R., Pasalic, H., Schaumann, G., Lischka, H.
The 20th World Congress of Soil Science 2014
(2013) Humic substances (HS) models – water and cations bridges
Autoren: Gerzabek, M.H., Aquino, A.J.A, Haberhauer, G., Solc, R., Pasalic, H., Lischka, H., Oostenbrink, C., Schaumann, G., Tunega, D.
IUSS-Global Soil Carbon Conference
(2013) Interactions of organic compounds with soil components – the molecular level
Autoren: Gerzabek, M.H., Aquino, A.J.A., Tunega, D., Šolc, R., Haberhauer, G., Georgieva, I., Lischka, H.
Jahrestagung der Deutschen Bodenkundlichen Gesellschaft 2013
(2012) Quantitative reconstruction with advanced molecular modeling to understand BGIs
Autoren: Tunega, D., Aquino, A.J.A., Solc, R., Haberhauer, G., Gerzabek, M.H.
Annual Meeting SPP 1315 2012 - Biogeochemical Interfaces in Soils
(2012) HUMIC SUBSTANCES (HS) MODELS – WATER AND CATIONS INTERACTING WITH HS NANOPORES
Autoren: Gerzabek Martin, Aquino Adelia, Tunega Daniel, Haberhauer Georg, Pasalic Hasan, Lischka Hans, Schaumann Gabriele
4th International Congress EUROSOIL 2012
(2012) MOLECULAR SIMULATION TECHNIQUES: Methods and Applications
Autoren: Tunega, T., Aquino, A.J.A., Šolc, R., Gerzabek, M.H., Haberhauer, G., Lischka, H.
Annual Meeting SPP 1315 2012 - Biogeochemical Interfaces in Soils
(2012) Interactions of organic compounds with soil components – elucidating mechanisms on a molecular level
Autoren: Aquino, A.J.A., Gerzabek, M.H., Tunega, D., Šolc, R., Haberhauer, G., Pasalic,, H., Lischka, H.
Annual Meeting SPP 1315 2012 - Biogeochemical Interfaces in Soils
(2011) Interactions of organic compounds with soil components – elucidating mechanisms on a molecular level
Autoren: Gerzabek, M,H., Aquino, A.J.A., Tunega, D., Pašalić, H., Haberhauer, G., Lischka, H.
6th ISMOM Conference 2011 - Soil Interfaces in a Changing World
(2011) Role of molecular modeling in joint experiments
Autoren: Tunega, D., Gerzabek, M.H., Aquino, A.J.A., Lischka, H., Schaumann, G.E., Bachmann, J., Woche, S.K., Totsche, K.U.
Annual Meeting SPP 1315 Biogeochemical Interfaces in Soil 2011
(2011) Interactions of organic pollutants with soil components investigated by means of molecular modeling
Autoren: Gerzabek, M.H., Tunega, D., Aquino, A.J.A., Pasalic, H., Haberhauer, G., Lischka, H.
Jahrestagung der Deutschen Bodenkundlichen Gesellschaft 2011
(2011) Simulation of defect transport in stacked p-systems
Autoren: Lischka, H; Aquino, AJA; Ruckenbauer, M; Plasser, F
242ndNational Fall Meeting of the American Chemical Society ACS 2011
(2010) Interactions of organic pollutants with soil components investigated by means of molecular modelling
Autoren: Gerzabek, M.H., Tunega, D., Aquino, A.J.A., Pasalic, H., Haberhauer, G., Lischka, H.
19th World Congress of Soil Science 2010 - Solutions for a changing world
(2010) Interactions of organic compounds with soil components - elucidating mechanisms on a molecular level
Autoren: Aquino, A., Tunega, D., Pasalic, H., Haberhauer, G., Waldner, G., Friesl, W., Gerzabek, M.H., Lischka, H.
3rd annual colloquium SPP 1315 Biogeochemical Interfaces in Soil 2010
(2009) Alkali metal cations on pyrene – A black carbon model
Autoren: Pasalic, H., Tunega, D., Aquino, A., Haberhauer, G., Gerzabek, M.H., Lischka, H.
DFG-IUSS Symposium 2009 - Advances of Molecular Moedling of Biogeochemical Interfaces – Perspectives for Soil Research
(2009) Water- and calcium-bridges in nanopores of humic acid models: Static DFT and dynamic DFTB investigations
Autoren: Aquino, A.J.A., Tunega, D., Schaumann, G.E., Gerzabek, M.H., Haberhauer, G., Lischka, H.
DFG-IUSS Symposium 2009 - Advances of Molecular Moedling of Biogeochemical Interfaces – Perspectives for Soil Research
(2009) Sorption of selected aromatic substances – application of kinetic concepts and quantum mechanical modeling
Autoren: Klepsch, S., Aquino, A.J.A., Haas, U., Tunega, D., Haberhauer, G., Gerzabek, M.H., Lischka, H.
DFG-IUSS Symposium 2009 - Advances of Molecular Moedling of Biogeochemical Interfaces – Perspectives for Soil Research
(2009) Interactions of organic pollutants with soil components – elucidating mechanisms on a molecular level
Autoren: Gerzabek, M.H., Tunega, D., Lischka, H.,Aquino, A., Pasalic, H., Haberhauer, G., Haas, U.
Computational Science and Engineering Workshop 2009
(2009) Acetic acid dimer in various environments
Autoren: Pasalic, H., Tunega, D., Aquino, A., Haberhauer, G., Gerzabek, M.H., Lischka, H.
DFG-IUSS Symposium 2009 - Advances of Molecular Moedling of Biogeochemical Interfaces – Perspectives for Soil Research
(2008) Macro- and nano-scale modelling in order to investigate sorption of selected organic substances
Autoren: Klepsch, S., Aquino, A.J.A, Haas, U., Tunega, D., Haberhauer, G., Gerzabek, M.H., Lischka, H.
Electron corrrelation and molecular dynamics for excited states and photochemistry 2008
(2008) Interactions of organic pollutants with soil components – elucidating mechanisms on a molecular level
Autoren: Gerzabek, M.H., Tunega, D., Lischka, H., Aquino, A.J.A., Pasalic, H., Haberhauer, G., Haas, U.
Statuskolloquium des DFG-SPP 1315 2008 - Biogeochemical Interfaces in Soils
(2008) Thermodynamical properties of nechmark hydrogen-bonded systems using molecular dynamics and Monte Carlo methods
Autoren: Pasalic, H., Aquino, A.J.A, Tunega, D., Haberhauer, G., Gerzabek, M.H., Lischka, H.
Electron corrrelation and molecular dynamics for excited states and photochemistry 2008
(2008) Time-dependent sorption of selected organic compounds to a natural soil and Ca2+-saturated montmorillonite
Autoren: Haas, U., Klepsch, S., Haberhauer, G., Gerzabek, M.H., Aquino, A.J.A., Tunega, D., Lischka, H.
Electron corrrelation and molecular dynamics for excited states and photochemistry 2008
(2008) The stability of water bridges in nanopores of humic acid models - a theoretical study
Autoren: Aquino, A.J.A, Tunega, D., Haberhauer, G., Gerzabek, M.H., Lischka, H.
Electron corrrelation and molecular dynamics for excited states and photochemistry 2008
(2008) Interaction of contaminants with soil interfaces - evidence from experiments and computational chemistry
Autoren: Gerzabek, M.H., Aquino, A.J.A, Lair, G.J., Haberhauer, G., Tunega, D., Klepsch, S., Kirchmann, H., Winkler, P., Lischka, H.
Geoökologische Kolloquium 2008
(2007) Interactions of organic pollutants with soil components - elucidating mechansisms on a molecular level
Autoren: Gerzabek, M.H., Lischka, H., Haberhauer, G., Tunega, D., Aquino, A.
Kick-off-Meeting, DFG-Priority Programme 1315, Biogeochemical Interfaces in Soil 2007
(2006) Modeling of the surface of the mineral goethite
Autoren: Aquino, A.J.A, Tunega, D., Haberhauer, G., Gerzabek, M.H., Lischka, H.
Central European Symposium on Theoretical Chemistry 2006
(2006) Modeling of the surface of the mineral Goethite and its interactions with organic compounds
Autoren: Aquino, A.J.A, Tunega, D., Haberhauer, G., Gerzabek, M.H., Lischka, H.
Institute of General and Inorganic Chemistry of the Bulgarian Academy of Sciences
(2006) Forschungsergebnisse zum Stoffverhalten im Boden - von der bodenorganischen Substanz bis zum Adsorptionsverhalten
Autoren: Gerzabek, M.H., Aquino, A.J.A, Lair, G.J., Novoszad, M., Haberhauer, G., Tunega, D., Klepsch, S., Stemmer, M., Tatzber, M., Kirchmann, H., Winkler, P., Lischka, H.
Agrosphären-Kolloquium 2006
(2006) Modeling of the surface of the mineral goethite
Autoren: Aquino, A.J.A, Tunega, D., Haberhauer, G., Gerzabek, M.H., Lischka, H.
42nd Symposium on Theoretical Chemistry
(2006) Interaction of the 2,4-dichlorophenoxyacetic acid herbicide with soil organic matter
Autoren: Aquino, A.J.A, Tunega, D., Haberhauer, G., Gerzabek, M.H., Lischka, H.
Institute of General and Inorganic Chemistry of the Bulgarian Academy of Sciences
(2005) Modeling of the surface of the mineral goethite
Autoren: Aquino, A.J.A., Tunega, D., Haberhauer, G., Gerzabek, M.H., Lischka, H.
XIII Simposio Brasileiro de Quimica Teoretica
(2005) Modeling of the surface of the mineral goethite
Autoren: Aquino, A.J.A., Tunega, D., Haberhauer, G., Gerzabek, M.H., Lischka, H.
IUSS-Symposium 2005 - Advances of molecular modeling - Perspectives for soil research
(2005) Adsorptionseigenschaften von Böden – computerchemische Berechnungen und experimentelle Evidenz
Autoren: Gerzabek, M.H., A.J.A. Aquino, G.J. Lair, M. Novoszad, G. Haberhauer, D. Tunega, H. Kirchmann und H. Lischka
Geowissenschaftliches Kolloquium
(2005) Soil characteristics governing adsorption properties – experimental evidence versus molecular modelling
Autoren: Gerzabek, M.H., Aquino, A., Haberhhauer, G., Kirchmann, H., Klepsch, S., Lair, G.J., Novoszad, M., Tunega, D., Winkler, P., Lischka, H.
IUSS-Symposium 2005 - Advances of molecular modeling - Perspectives for soil research
(2004) Modeling of molecular interactions in soil systems – possible approaches and limitations
Autoren: Haberhauer, G., M.H. Gerzabek, A. Aquino, D. Tunega, H. Lischka
3rd International Conference Interfaces Against Pollution IAP 2004
(2003) Catalytic effect of clay mineral surfaces on amide bond formation ¿ a theoretical study
Autoren: Aquino, A.J.A., Tunega, D., Haberhauer, G., Gerzabek, M.H., Lischka, H.
Europa Cat-VI, The European Catalysis Forum 2003
(2003) Theoretical chemistry ¿ recent applications in soil research
Autoren: Gerzabek, M.H., Aquino, A.J., Haberhauer, G., Tunega, D., Lischka, H.
Symposium on Recent Developments in Computational Chemistry - Can Theory Answer Questions in Applied Natural Sciences? 2003
(2003) Applications of Computational Chemistry in Soil Research
Autoren: Gerzabek, M.H., A.J.A. Aquino, G. Haberhauer, D. Tunega and H. Lischka
XXXIIth Annual Meeting of ESNA
(2003) Catalytic effect of clay mineral surfaces on amide bond formation ¿ a theoretical study
Autoren: Aquino, A.J., Tunega, D., Gerzabek, M.H., Lischka, H.
Symposium on Recent Developments in Computational Chemistry - Can Theory Answer Questions in Applied Natural Sciences? 2003
(2002) Application of computational chemistry in soil research.
Autoren: Gerzabek, M.H., Aquino, A.J.A., Haberhauer, G., Tunega, D., Lischka, H.
XXXIInd annual meeting of ESNA (European Society of New Methods in Agricultural Research)
Molecular modelling ¿ opportunities for soil research.
Autoren: GERZABEK, M.H., A.J. AQUINO, G. HABERHAUER, D. TUNEGA and H. LISCHKA
Thermodynamical properties of nechmark hydrogen-bonded systems using molecular dynamics and Monte Carlo methods
Autoren: Pasalic, H., A.J.A. Aquino, D. Tunega, G. Haberhauer, M.H. Gerzabek, H. Lischka
Recent results from soil organic matter studies: stabilization, FTIR-methodology and molecular modeling.
Autoren: Gerzabek, M.H., Aquino, A.J.A., Blum, W.E.H., Haberhauer, G., Kandeler, E., Kirchmann, H., Lischka, H., Tunega, D., Sessitsch, A.
Surface properties of hydrous iron oxides: a model study
Autoren: Tunega, D., A.J.A. Aquino, G. Haberhauer, M.H. Gerzabek, H. Lischka
The role of hydrogen bonds and cation-bridges on the thermodynamic stability of humic acids: modeling study
Autoren: Aquino, A.J.A., D. Tunega, H. Pasalic, G. Haberhauer, M.H. Gerzabek, H. Lischka
Modeling of molecular interactions of soil components with organic compounds
Autoren: HABERHAUER, G., A. AQUINO, D. TUNEGA, M. GERZABEK und H. LISCHKA