Daniel Tunega
Priv.-Doz. Dr. Daniel Tunega
Institute of Soil Research
Location Peter-Jordan-Straße 82, 1190 Wien
Email daniel.tunega@boku.ac.at
Tel: +43 1 47654-91148
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Publications
Knowledge Transfer to Society
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Lectures
Year: 2024 - Clay minerals as sorbents for hydrophobic organic chemicals: Insights to adsorption studies with bentonites and halogenated aromatic compounds
Autoren: Böhm, L; Grančič, P; Siemens, J; Tunega, D; Gerzabek, MH
Event: AIPEA ECCS Bimonthly Webinar Series
Year: 2024 - CLAY MINERALS AS SORBENTS FOR HYDROPHOBIC ORGANIC CHEMICALS: ELUCIDATION OF INTERACTIONS THROUGH EXPERIMENTAL AND MODELING APPROACHES
Autoren: Böhm, L; Grancic, P; Butzke, LP; Siemens, J; Tunega, D; Gerzabek, MH
Event: Centennial Celebration and Congress of the International Union of Soil Sciences IUSS 2024
Year: 2023 - Tonminerale als Sorbenten für hydrophobe organische Chemikalien
Autoren: Böhm, L; Grancic, P; Siemens, J; Tunega, D; Gerzabek, MH
Event: Jahrestagung der Deutschen Bodenkundlichen Gesellschaft
Year: 2023 - Reductive dechlorination of chlorinated ethenes by iron nitride nanoparticles
Autoren: Brumovsky, M; Micic, V; Oborna, J; Filip, J; Hofmann, T; Tunega, D
Event: Goldschmidt Conference 2023
Year: 2023 - Characterization of soil microaggregates at the microscopic level using molecular dynamics
Autoren: Galicia-Andrés, E; Tunega, D; Gerzabek, MH; Oostenbrink, C
Event: International Conference of European Clay Groups Association EUROCLAY 2023
Year: 2023 - Molecular Dynamics Simulation, Contact Angle determination, and X-Ray Photoelectron Spectroscopy explain the wetting properties of siloxane model surfaces
Autoren: Woche, SK; Tunega, D; Goebel, M-O; Gerzabek, MH; Grančič, P; Guggenberger, G; Bachmann, J
Event: EGU
Year: 2023 - Molecular Dynamics Simulation, Contact Angle determination, and X-Ray Photoelectron Spectroscopy explain the wetting properties of siloxane model surfaces
Autoren: Woche, SK; Tunega, D; Goebel, M-O; Gerzabek, MH; Grančič, P; Guggenberger, G; Bachmann, J
Event: EGU General Assembly 2023
Year: 2023 - Glyphosate adsorption on allophane and halloysite
Autoren: Rechberger, MV; Remlinger, VI; Lenhardt, KR; Rennert,T; Rennhofer, H; Tunega, D; Willinger, M; Zehetner, F; Gerzabek, MH
Event: Goldschmidt Conference
Year: 2023 - Tonminerale als Sorbenten für hydrophobe organische Chemikalien: Betrachtung von Einflussfaktoren
Autoren: Böhm, L; Grančič, P; Siemens, J; Tunega, D; Gerzabek, MH
Event: Gemeinsame Tagung von SETAC GLB und GDCh FG U&Ö
Year: 2023 - Hydrophobic organic compound–clay mineral interactions at the clay–water interface: insights on the role of mineral characteristics and compound hydrophobicity
Autoren: Böhm, L; Grančic, P; Tunega, D., Gerzabek, MH
Event: Euroclay conference
Year: 2023 - On the nature of interactions between hydrophobic organic compounds and clay minerals: Case study of hexachlorobenzene and montmorillonite
Autoren: Grančic, P; Böhm, L; Gerzabek, MH; Tunega, D
Event: Euroclay conference
Year: 2022 - On the Nature of Interactions between Hydrophobic Organic Compounds and Clay Minerals - A Molecular Modelling Approach
Autoren: Grancic, P; Böhm, L; Gerzabek, MH; Tunega, D
Event: 22nd World Congress of Soil Sciences 2022
Year: 2022 - Wechselwirkung von hydrophoben organischen Chemikalien mit Mineralen - exemplarische Untersuchungen mit dem persistenten organischen Schadstoff Hexachlorbenzol
Autoren: Böhm, L.; Scholtzova, E.; Heyde, B.; Grancic, P.; Düring, R.-A.; Siemens, J.; Gerzabek, M.H.; Tunega, D.
Event: Jahrestagung der Deutschen Bodenkundlichen Gesellschaft DBG 2022
Year: 2022 - Molecular scale view at organo–mineral aggregates
Autoren: Galicia–Andrés, E; Oostenbrink, C; Gerzabek, MH; Tunega, D
Event: 22nd World Congress of Soil Sciences 2022
Year: 2022 - Investigation of hydrophobic organic chemical (HOC)-mineral interactions by miniaturized adsorption experiments
Autoren: Böhm, L; Grancic, P; Tunega, D., Gerzabek, MH
Event: 22nd World Congress of Soil Sciences 2022
Year: 2022 - Modeling of Fe-bearing mineral surfaces towards understanding of reactivity of chemically modified nanozerovalent iron particles
Autoren: Tunega, D; Brumovsky, M
Event: GeoMinKöln 2022
Year: 2022 - Nitriding of nZVI as a novel means to improve its selectivity for trichloroethylene remediation
Autoren: Brumovsky, M; Oborna, J; Micic, V; Malina, O; Kaslik, J; Tunega, D; Kolos, M; Hofmann, T; Karlicky, F; Filip, J
Event: Goldschmidt Conference 2022
Year: 2022 - Modelling of soil organic matter and its interactions with clay minerals
Autoren: Gerzabek, M.H.; Galicia Andres; E., Escalona, Y.; Grancic, P; Petrov, D.; Tunega, D; Oostenbrink, C.
Event: Jahrestagung der Deutschen Bodenkundlichen Gesellschaft DBG 2022
Year: 2021 - A molecular dynamic study of Soil Organic Matter stabilization mechanisms
Autoren: Galicia-Andrés, E; Escalona, Y; Grančič, P; Oostenbrink, C; Tunega, D; Gerzabek, MH
Event: European Geosciences Union EGU General Assembly 2021
Year: 2021 - Intermolecular Interactions between Soil Organic Matter and Clay Minerals
Autoren: Galicia-Andrés, E; Escalona, Y; Petrov, D; Oostenbrink, C; Tunega, D; Gerzabek, MH
Event: EUROSOIL 2021
Year: 2021 - Understanding of adsorption and degradation of halogenated hydrocarbons at mineral surfaces
Autoren: de Azevedo Barbosa, A.C.; Tunega, D.; Gerzabek, M.H.; Oostenbrink, C.
Event: 6. DWB Student Conference 2021 - Forest & Soil Science update
Year: 2021 - Interaction of hydrophobic organic chemicals with minerals - exemplary studies with the persistent organic pollutant hexachlorobenzene
Autoren: Böhm, L, Scholtzova, E., Heyde, B., Grancic, P., Düring, R.-A., Siemens, J., Gerzabek, M., Tunega, D.
Event: EUROSOIL 2021
Year: 2021 - Glyphosate adsorption onto clay minerals
Autoren: Remlinger, V., Rechberger, M., Tunega, D., Zehetner, F., Lenhardt, K., Rennert, T., Gerzabek, M.H.
Event: BCAS Semestertouchdown
Year: 2020 - Glyphosate adsorption onto clay minerals
Autoren: Remlinger, V., Rechberger, M., Tunega, D., Zehetner, F., Lenhardt, K., Rennert, T., Gerzabek, M.H.
Event: ELLS Scientific Student Conference 2020 - The World of Tomorrow – A Green and Sustainable Society
Year: 2019 - Molecular dynamics simulations of soil condensed phases
Autoren: Galicia-Andrés, E; Tunega, D; Gerzabek, MH; Oostenbrink, C
Event: 8th International Symposium on Interactions of Soil Minerals with Organic Components and Microorganisms
Year: 2018 - Microscopic analysis of the structure, dynamics and absorption properties of the standard Leonardite humic acid using molecular dynamics simulations
Autoren: Petrov, D; Tunega, D; Gerzabek, MH; Oostenbrink, C
Event: 21st World Congress of Soil Science WCSS 2018
Year: 2018 - Interaction of organic molecules with reactive soil interfaces – molecular modeling and simulation
Autoren: Gerzabek, MH; Tunega, D; Petrov, D; Andres, EG; Grančič, P; Georgieva, I; Aquino, AJA; Lischka, H; Oostenbrink, C
Event: 21st World Congress of Soil Science WCSS 2018
Year: 2017 - Modelling of interactions of polar and nonpolar pollutants with soil minerals and soil organic matter
Autoren: Tunega D., Gerzabek M.H., Šolc R., Petrov D., Haberhauer G., Georgieva I., Aquino A.J.A., Oostenbrink C., Lischka H.
Event: Jahrestagung der Deutschen Bodenkundlichen Gesellschaft 2017
Year: 2014 - Wettability of Organically Coated Tridymite Surface as Proxy for Organo-Mineral Soil Surfaces - Molecular Dynamics Study
Autoren: Solc, R., Tunega, D., Gerzabek, M.H., Lischka, H., Woche, S.K., Bachmann, J.
Event: The 20th World Congress of Soil Science 2014
Year: 2014 - Ecological soil functions: Retention properties influenced by soil development, land-use and management
Autoren: Gerzabek, M.H., Zehetner, F., Tunega, D.
Event: 43rd annual conference of the European Society for New Methods in Agricultural Research (ESNA)
Year: 2014 - Molecular Modelling of Humic Substances
Autoren: Gerzabek, M.H., Aquino, A., Tunega, D., Haberhauer, G., Solc, R., Pasalic, H., Schaumann, G., Lischka, H.
Event: The 20th World Congress of Soil Science 2014
Year: 2014 - The Dynamics and Properties of Biogeochemical Interfaces in Soil: The Impact of Changing Environments
Autoren: Georg Haberhauer Martin Gerzabek Daniel Tunega Roland Solc Franz Zehetner Georg Lair
Event: International Symposium 2014 Biogeochemical Interfaces in Soil: Towards a Comprehensive and Mechanistic Understanding of Soil Functions
Year: 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.
Event: Jahrestagung der Deutschen Bodenkundlichen Gesellschaft 2013
Year: 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.
Event: IUSS-Global Soil Carbon Conference
Year: 2012 - Quantitative reconstruction with advanced molecular modeling to understand BGIs
Autoren: Tunega, D., Aquino, A.J.A., Solc, R., Haberhauer, G., Gerzabek, M.H.
Event: Annual Meeting SPP 1315 2012 - Biogeochemical Interfaces in Soils
Year: 2012 - MOLECULAR SIMULATION TECHNIQUES: Methods and Applications
Autoren: Tunega, T., Aquino, A.J.A., Šolc, R., Gerzabek, M.H., Haberhauer, G., Lischka, H.
Event: Annual Meeting SPP 1315 2012 - Biogeochemical Interfaces in Soils
Year: 2012 - Filter and Buffer Function of Soils: Retention Properties influenced by Soil Formation, Land-use and Management
Autoren: Gerzabek, M.H., Lair, G.J., Tunega, D., Zehetner, F.
Event: Gastvorlesung an der Universität Wien 2012
Year: 2012 - Wettability of Mineral Surfaces - Molecular Dynamics Simulations
Autoren: Roland Šolc, Martin H. Gerzabek, Hans Lischka, Daniel Tunega
Event: Mid-European Clay Conference 2012
Year: 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
Event: 4th International Congress EUROSOIL 2012
Year: 2012 - COATING OF MODEL SURFACES WITH ORGANIC FUNCTIONAL GROUPS
Autoren: Woche Susanne K., Abraham Priya Mary, Gerzabek Martin H., Goebel Marc-O., Guggenberger Georg, Schaumann Gabriele E., Totsche Kai Uwe, Tunega Daniel, Bachmann Joerg
Event: 4th International Congress EUROSOIL 2012
Year: 2012 - Filter and Buffer Function of Soils: Retention Properties influenced by Soil Formation, Land-use and Management
Autoren: Gerzabek, M.H., Lair, G.J., Tunega, D., Zehetner, F.
Event: International Soil Science Symposium 2012 - Soil for All
Year: 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.
Event: Annual Meeting SPP 1315 2012 - Biogeochemical Interfaces in Soils
Year: 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.
Event: 6th ISMOM Conference 2011 - Soil Interfaces in a Changing World
Year: 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.
Event: Annual Meeting SPP 1315 Biogeochemical Interfaces in Soil 2011
Year: 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.
Event: Jahrestagung der Deutschen Bodenkundlichen Gesellschaft 2011
Year: 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.
Event: 19th World Congress of Soil Science 2010 - Solutions for a changing world
Year: 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.
Event: 3rd annual colloquium SPP 1315 Biogeochemical Interfaces in Soil 2010
Year: 2009 - A DFT study of radical sites in humic acid components
Autoren: Solc, R., Tunega, D., Gerzabek, M.H., Lischka, H.
Event: DFG-IUSS Symposium 2009 - Advances of Molecular Moedling of Biogeochemical Interfaces – Perspectives for Soil Research
Year: 2009 - Acetic acid dimer in various environments
Autoren: Pasalic, H., Tunega, D., Aquino, A., Haberhauer, G., Gerzabek, M.H., Lischka, H.
Event: DFG-IUSS Symposium 2009 - Advances of Molecular Moedling of Biogeochemical Interfaces – Perspectives for Soil Research
Year: 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.
Event: Computational Science and Engineering Workshop 2009
Year: 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.
Event: DFG-IUSS Symposium 2009 - Advances of Molecular Moedling of Biogeochemical Interfaces – Perspectives for Soil Research
Year: 2009 - Alkali metal cations on pyrene – A black carbon model
Autoren: Pasalic, H., Tunega, D., Aquino, A., Haberhauer, G., Gerzabek, M.H., Lischka, H.
Event: DFG-IUSS Symposium 2009 - Advances of Molecular Moedling of Biogeochemical Interfaces – Perspectives for Soil Research
Year: 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.
Event: DFG-IUSS Symposium 2009 - Advances of Molecular Moedling of Biogeochemical Interfaces – Perspectives for Soil Research
Year: 2009 - Wettability of kalolinite surfaces – A molecular dynamics study
Autoren: Solc, R., Pasalic, H., Tunega, D., Gerzabek, M.H., Lischka, H.
Event: DFG-IUSS Symposium 2009 - Advances of Molecular Moedling of Biogeochemical Interfaces – Perspectives for Soil Research
Year: 2009 - Boehmite (γ-AlO(OH)) – theoretical study of structural and mechanical properties
Autoren: Tunega, D., Pasalic, H., Gerzabek, M.H., Lischka, H.
Event: DFG-IUSS Symposium 2009 - Advances of Molecular Moedling of Biogeochemical Interfaces – Perspectives for Soil Research
Year: 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.
Event: Electron corrrelation and molecular dynamics for excited states and photochemistry 2008
Year: 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.
Event: Electron corrrelation and molecular dynamics for excited states and photochemistry 2008
Year: 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.
Event: Electron corrrelation and molecular dynamics for excited states and photochemistry 2008
Year: 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.
Event: Geoökologische Kolloquium 2008
Year: 2008 - 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
Event: EUROSOIL 2008
Year: 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.
Event: Statuskolloquium des DFG-SPP 1315 2008 - Biogeochemical Interfaces in Soils
Year: 2008 - 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
Event: EUROSOIL 2008
Year: 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.
Event: Electron corrrelation and molecular dynamics for excited states and photochemistry 2008
Year: 2008 - Surface properties of hydrous iron oxides: a model study
Autoren: Tunega, D., A.J.A. Aquino, G. Haberhauer, M.H. Gerzabek, H. Lischka
Event: EUROSOIL 2008
Year: 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.
Event: Kick-off-Meeting, DFG-Priority Programme 1315, Biogeochemical Interfaces in Soil 2007
Year: 2006 - Molecular modelling and its applicability in soil science
Autoren: Tunega, D., Gerzabek, M.H.
Event: Kolloquium
Year: 2006 - Modeling of the surface of the mineral goethite
Autoren: Aquino, A.J.A, Tunega, D., Haberhauer, G., Gerzabek, M.H., Lischka, H.
Event: 42nd Symposium on Theoretical Chemistry
Year: 2006 - Response of sorption properties of soils to soil development, land-use and management.
Autoren: Gerzabek, M.H., Lair, G.J., Winkler, P., Novoszad, M., Haberhauer, G., Lischka, H., Tunega, D.
Event: 18th World Congress of Soil Science 2006
Year: 2006 - Soil minerals – Computer simulation of sorption properties
Autoren: Tunega, D., Haberhauer, G., Lischka, H., Gerzabek, M.H.
Event: 18th World Congress of Soil Science 2006
Year: 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.
Event: Institute of General and Inorganic Chemistry of the Bulgarian Academy of Sciences
Year: 2006 - Modeling the Adsorption of Toxic Substances to Soil Components
Autoren: Winkler, P., Tscheliessnig, R., Billes, W., Tunega, D., Gerzabek, M. H.
Event: Spatial Data Methods for Enviromental and Ecological Processes
Year: 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.
Event: Agrosphären-Kolloquium 2006
Year: 2006 - Adsorption of pesticides to soil components
Autoren: Winkler, P., Tunega, D., Lischka, H., Gerzabek, M.H.
Event: Jahrestagung der Österreichischen Bodenkundlichen Gesellschaft ÖBG 2006 - Boden als Pflanzenstandort
Year: 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.
Event: Institute of General and Inorganic Chemistry of the Bulgarian Academy of Sciences
Year: 2006 - Modeling of the surface of the mineral goethite
Autoren: Aquino, A.J.A, Tunega, D., Haberhauer, G., Gerzabek, M.H., Lischka, H.
Event: Central European Symposium on Theoretical Chemistry 2006
Year: 2005 - Modeling of the surface of the mineral goethite
Autoren: Aquino, A.J.A., Tunega, D., Haberhauer, G., Gerzabek, M.H., Lischka, H.
Event: XIII Simposio Brasileiro de Quimica Teoretica
Year: 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
Event: Geowissenschaftliches Kolloquium
Year: 2005 - Theoretical prediction of the adsorption of pesticides on clay mineral surfaces
Autoren: Winkler, P., Tunega, D., Lischka, H., Gerzabek, M.H.
Event: 9th International FZK/TNO Conference on Soil-Water Systems 2005
Year: 2005 - Modeling of the surface of the mineral goethite
Autoren: Aquino, A.J.A., Tunega, D., Haberhauer, G., Gerzabek, M.H., Lischka, H.
Event: IUSS-Symposium 2005 - Advances of molecular modeling - Perspectives for soil research
Year: 2005 - Modeling of interaction between organic molecules and clay mineral surfaces
Autoren: Winkler, P., Tunega, D., Lischka, H., Gerzabek, M.H.
Event: IUSS-Symposium 2005 - Advances of molecular modeling - Perspectives for soil research
Year: 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.
Event: IUSS-Symposium 2005 - Advances of molecular modeling - Perspectives for soil research
Year: 2005 - Ab initio molecular dynamics of clay mineral surfaces and interfaces.
Autoren: Tunega, D., Lischka, H., Gerzabek, M.H.
Event: IUSS-Symposium 2005 - Advances of molecular modeling - Perspectives for soil research
Year: 2004 - Modeling molecular interactions on soil minerals
Autoren: Tunega, D., M.H. Gerzabek, H. Lischka
Event: EUROSOIL 2004
Year: 2004 - Modeling of molecular interactions in soil systems – possible approaches and limitations
Autoren: Haberhauer, G., M.H. Gerzabek, A. Aquino, D. Tunega, H. Lischka
Event: 3rd International Conference Interfaces Against Pollution IAP 2004
Year: 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.
Event: Symposium on Recent Developments in Computational Chemistry - Can Theory Answer Questions in Applied Natural Sciences? 2003
Year: 2003 - Theoretical chemistry ¿ recent applications in soil research
Autoren: Gerzabek, M.H., Aquino, A.J., Haberhauer, G., Tunega, D., Lischka, H.
Event: Symposium on Recent Developments in Computational Chemistry - Can Theory Answer Questions in Applied Natural Sciences? 2003
Year: 2003 - Sorption of 2,4-D pesticide on montmorillonite ¿ an ab initio molecular dynamics study
Autoren: Tunega, D., Gerzabek, M.H., Lischka, H.
Event: Symposium on Recent Developments in Computational Chemistry - Can Theory Answer Questions in Applied Natural Sciences? 2003
Year: 2003 - Applications of Computational Chemistry in Soil Research
Autoren: Gerzabek, M.H., A.J.A. Aquino, G. Haberhauer, D. Tunega and H. Lischka
Event: XXXIIth Annual Meeting of ESNA
Year: 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.
Event: Europa Cat-VI, The European Catalysis Forum 2003
Year: 2002 - Application of computational chemistry in soil research.
Autoren: Gerzabek, M.H., Aquino, A.J.A., Haberhauer, G., Tunega, D., Lischka, H.
Event: 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
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.
Modeling of molecular interactions of soil components with organic compounds
Autoren: HABERHAUER, G., A. AQUINO, D. TUNEGA, M. GERZABEK und H. LISCHKA