Daniel Tunega

Presentations

• Year: 2024 -  Clay minerals as sorbents for hydrophobic organic chemicals: Insights to adsorption studies with bentonites and halogenated aromatic compounds (Talk)

  Autoren: Böhm, L; Grančič, P; Siemens, J; Tunega, D; Gerzabek, MH

  Event: AIPEA ECCS Bimonthly Webinar Series

  Period: 26.01.2024  | Location: Gießen/Germany

• Year: 2024 -  CLAY MINERALS AS SORBENTS FOR HYDROPHOBIC ORGANIC CHEMICALS: ELUCIDATION OF INTERACTIONS THROUGH EXPERIMENTAL AND MODELING APPROACHES (Talk)

  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

  Period: 19.05.2024 - 21.05.2024  | Location: Florence, Italien  | Organizer: International Union of Soil Science

• Year: 2023 -  Tonminerale als Sorbenten für hydrophobe organische Chemikalien (Talk)

  Autoren: Böhm, L; Grancic, P; Siemens, J; Tunega, D; Gerzabek, MH

  Event: Jahrestagung der Deutschen Bodenkundlichen Gesellschaft

  Period: 02.09.2023 - 08.09.2023  | Location: Halle an der Saale | Location: Halle an der Saale, Deutschland

• Year: 2023 -  Reductive dechlorination of chlorinated ethenes by iron nitride nanoparticles (Poster)

  Autoren: Brumovsky, M; Micic, V; Oborna, J; Filip, J; Hofmann, T; Tunega, D

  Event: Goldschmidt Conference 2023

  Period: 09.07.2023 - 14.07.2023  | Location: Lyon | Location: Lyon, FRANCE | Location: Lyon, France

• Year: 2023 -  Characterization of soil microaggregates at the microscopic level using molecular dynamics (Talk)

  Autoren: Galicia-Andrés, E; Tunega, D; Gerzabek, MH; Oostenbrink, C

  Event: International Conference of European Clay Groups Association 2023

  Period: 24.07.2023 - 27.07.2023  | Location: Bari

• Year: 2023 -  Molecular Dynamics Simulation, Contact Angle determination, and X-Ray Photoelectron Spectroscopy explain the wetting properties of siloxane model surfaces (Talk)

  Autoren: Woche, SK; Tunega, D; Goebel, MO; Gerzabek, MH; Grančič, P; Guggenberger, G; Bachmann, J

  Event: EGU General Assembly 2023

  Period: 23.04.2023 - 28.04.2023  | Location: Vienna, AUSTRIA  | Organizer: European Geosciences Union (EGU)

• Year: 2023 -  Molecular Dynamics Simulation, Contact Angle determination, and X-Ray Photoelectron Spectroscopy explain the wetting properties of siloxane model surfaces (Talk)

  Autoren: Woche, SK; Tunega, D; Goebel, MO; Gerzabek, MH; Grančič, P; Guggenberger, G; Bachmann, J

  Event: EGU General Assembly 2023

  Period: 23.04.2023 - 28.04.2023  | Location: Vienna, AUSTRIA  | Organizer: European Geosciences Union (EGU)

• Year: 2023 -  Tonminerale als Sorbenten für hydrophobe organische Chemikalien: Betrachtung von Einflussfaktoren (Talk)

  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 (Poster)

  Autoren: Böhm, L; Grančic, P; Tunega, D., Gerzabek, MH

  Event: Euroclay conference

• Year: 2023 -  Glyphosate adsorption on allophane and halloysite (Talk)

  Autoren: Rechberger, MV; Remlinger, VI; Lenhardt, KR; Rennert,T; Rennhofer, H; Tunega, D; Willinger, M; Zehetner, F; Gerzabek, MH

  Event: Goldschmidt Conference 2023

  Period: 09.07.2023 - 14.07.2023  | Location: Lyon | Location: Lyon, FRANCE | Location: Lyon, France

• Year: 2023 -  On the nature of interactions between hydrophobic organic compounds and clay minerals: Case study of hexachlorobenzene and montmorillonite (Talk)

  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 (Talk)

  Autoren: Grancic, P; Böhm, L; Gerzabek, MH; Tunega, D

  Event: 22nd World Congress of Soil Sciences 2022

  Period: 31.07.2022 - 05.08.2022  | Location: Glasgow, Scotland, UK

• Year: 2022 -  Wechselwirkung von hydrophoben organischen Chemikalien mit Mineralen - exemplarische Untersuchungen mit dem persistenten organischen Schadstoff Hexachlorbenzol (Talk)

  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

  Period: 05.09.2022 - 08.09.2022  | Location: Trier, Germany

• Year: 2022 -  Molecular scale view at organo–mineral aggregates (Talk)

  Autoren: Galicia–Andrés, E; Oostenbrink, C; Gerzabek, MH; Tunega, D

  Event: 22nd World Congress of Soil Sciences 2022

  Period: 31.07.2022 - 05.08.2022  | Location: Glasgow, Scotland, UK

• Year: 2022 -  Investigation of hydrophobic organic chemical (HOC)-mineral interactions by miniaturized adsorption experiments (Talk)

  Autoren: Böhm, L; Grancic, P; Tunega, D., Gerzabek, MH

  Event: 22nd World Congress of Soil Sciences 2022

  Period: 31.07.2022 - 05.08.2022  | Location: Glasgow, Scotland, UK

• Year: 2022 -  Modeling of Fe-bearing mineral surfaces towards understanding of reactivity of chemically modified nanozerovalent iron particles (Talk)

  Autoren: Tunega, D; Brumovsky, M

  Event: GeoMinKöln 2022

  Period: 11.09.2022 - 15.09.2022  | Location: Cologne, Germany

• Year: 2022 -  Nitriding of nZVI as a novel means to improve its selectivity for trichloroethylene remediation (Talk)

  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

  Period: 10.07.2022 - 15.07.2022  | Location: Honolulu, Hawaii

• Year: 2022 -  Modelling of soil organic matter and its interactions with clay minerals (Talk)

  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

  Period: 05.09.2022 - 08.09.2022  | Location: Trier, Germany

• Year: 2021 -  A molecular dynamic study of Soil Organic Matter stabilization mechanisms (Talk)

  Autoren: Galicia-Andrés, E; Escalona, Y; Grančič, P; Oostenbrink, C; Tunega, D; Gerzabek, MH

  Event: European Geosciences Union EGU General Assembly 2021

  Period: 19.04.2021 - 30.04.2021  | Location: Online

• Year: 2021 -  Intermolecular Interactions between Soil Organic Matter and Clay Minerals (Talk)

  Autoren: Galicia-Andrés, E; Escalona, Y; Petrov, D; Oostenbrink, C; Tunega, D; Gerzabek, MH

  Event: EUROSOIL 2021

  Period: 23.08.2021 - 27.08.2021  | Location: Online | Location: Geneva, Switzerland

• Year: 2021 -  Understanding of adsorption and degradation of halogenated hydrocarbons at mineral surfaces (Talk)

  Autoren: de Azevedo Barbosa, A.C.; Tunega, D.; Gerzabek, M.H.; Oostenbrink, C.

  Event: 6. DWB Student Conference 2021 - Forest & Soil Science update

  Period: 17.05.2021  | Location: Vienna, Austria | Location: Online  | Organizer: Depertment of Forest and Soil Sciences, BOKU

• Year: 2021 -  Interaction of hydrophobic organic chemicals with minerals - exemplary studies with the persistent organic pollutant hexachlorobenzene (Talk)

  Autoren: Böhm, L, Scholtzova, E., Heyde, B., Grancic, P., Düring, R.-A., Siemens, J., Gerzabek, M., Tunega, D.

  Event: EUROSOIL 2021

  Period: 23.08.2021 - 27.08.2021  | Location: Online | Location: Geneva, Switzerland

• Year: 2021 -  Glyphosate adsorption onto clay minerals (Talk)

  Autoren: Remlinger, V., Rechberger, M., Tunega, D., Zehetner, F., Lenhardt, K., Rennert, T., Gerzabek, M.H.

  Event: BCAS Semestertouchdown

  Period: 15.01.2021  | Location: Online

• Year: 2020 -  Glyphosate adsorption onto clay minerals (Talk)

  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

  Period: 20.11.2020 - 21.11.2020  | Location: Online | Location: Vienna, Austria

• Year: 2019 -  Molecular dynamics simulations of soil condensed phases (Talk)

  Autoren: Galicia-Andrés, E; Tunega, D; Gerzabek, MH; Oostenbrink, C

  Event: 8th International Symposium on Interactions of Soil Minerals with Organic Components and Microorganisms

  Period: 23.06.2019 - 28.06.2019  | Location: Seville, Spain

• Year: 2018 -  Microscopic analysis of the structure, dynamics and absorption properties of the standard Leonardite humic acid using molecular dynamics simulations (Talk)

  Autoren: Petrov, D; Tunega, D; Gerzabek, MH; Oostenbrink, C

  Event: 21st World Congress of Soil Science WCSS 2018

  Period: 12.08.2018 - 17.08.2018  | Location: Rio de Janeiro, Brazil

• Year: 2018 -  Interaction of organic molecules with reactive soil interfaces – molecular modeling and simulation (Talk)

  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

  Period: 12.08.2018 - 17.08.2018  | Location: Rio de Janeiro, Brazil

• Year: 2017 -  Modelling of interactions of polar and nonpolar pollutants with soil minerals and soil organic matter (Talk)

  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

  Period: 02.09.2017 - 07.09.2017  | Location: Göttingen, Germany

• Year: 2014 -  Wettability of Organically Coated Tridymite Surface as Proxy for Organo-Mineral Soil Surfaces - Molecular Dynamics Study (Talk)

  Autoren: Solc, R., Tunega, D., Gerzabek, M.H., Lischka, H., Woche, S.K., Bachmann, J.

  Event: The 20th World Congress of Soil Science 2014

  Period: 08.06.2014 - 13.06.2014  | Location: Jeju, South Korea

• Year: 2014 -  Ecological soil functions: Retention properties influenced by soil development, land-use and management (Talk)

  Autoren: Gerzabek, M.H., Zehetner, F., Tunega, D.

  Event: 43rd annual conference of the European Society for New Methods in Agricultural Research (ESNA)

  Period: 03.09.2014 - 06.09.2014  | Location: Bolzano, Italy

• Year: 2014 -  Molecular Modelling of Humic Substances (Talk)

  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

  Period: 08.06.2014 - 13.06.2014  | Location: Jeju, South Korea

• Year: 2014 -  The Dynamics and Properties of Biogeochemical Interfaces in Soil: The Impact of Changing Environments (Talk)

  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

  Period: 06.10.2014 - 08.10.2014  | Location: Leipzig, Germany

• Year: 2013 -  Interactions of organic compounds with soil components – the molecular level (Poster)

  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

  Period: 07.09.2013 - 12.09.2013  | Location: Rostock, Germany

• Year: 2013 -  Humic substances (HS) models – water and cations bridges (Talk)

  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

  Period: 03.06.2013 - 06.06.2013  | Location: Madison, WI, USA

• Year: 2012 -  Quantitative reconstruction with advanced molecular modeling to understand BGIs (Talk)

  Autoren: Tunega, D., Aquino, A.J.A., Solc, R., Haberhauer, G., Gerzabek, M.H.

  Event: Annual Meeting SPP 1315 2012 - Biogeochemical Interfaces in Soils

  Period: 10.10.2012 - 12.10.2012  | Location: Dornburg, Germany

• Year: 2012 -  MOLECULAR SIMULATION TECHNIQUES: Methods and Applications (Poster)

  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

  Period: 10.10.2012 - 12.10.2012  | Location: Dornburg, Germany

• Year: 2012 -  Filter and Buffer Function of Soils: Retention Properties influenced by Soil Formation, Land-use and Management (Talk)

  Autoren: Gerzabek, M.H., Lair, G.J., Tunega, D., Zehetner, F.

  Event: Gastvorlesung an der Universität Wien 2012

  Period: 05.10.2012  | Location: Vienna, Austria

• Year: 2012 -  Wettability of Mineral Surfaces - Molecular Dynamics Simulations (Poster)

  Autoren: Roland Šolc, Martin H. Gerzabek, Hans Lischka, Daniel Tunega

  Event: Mid-European Clay Conference 2012

  Period: 04.09.2012 - 09.09.2012  | Location: Pruhonice, Czech Republic

• Year: 2012 -  HUMIC SUBSTANCES (HS) MODELS – WATER AND CATIONS INTERACTING WITH HS NANOPORES (Poster)

  Autoren: Gerzabek Martin, Aquino Adelia, Tunega Daniel, Haberhauer Georg, Pasalic Hasan, Lischka Hans, Schaumann Gabriele

  Event: 4th International Congress EUROSOIL 2012

  Period: 02.07.2012 - 06.07.2012  | Location: Bari, Italy

• Year: 2012 -  COATING OF MODEL SURFACES WITH ORGANIC FUNCTIONAL GROUPS (Poster)

  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

  Period: 02.07.2012 - 06.07.2012  | Location: Bari, Italy

• Year: 2012 -  Filter and Buffer Function of Soils: Retention Properties influenced by Soil Formation, Land-use and Management (Talk)

  Autoren: Gerzabek, M.H., Lair, G.J., Tunega, D., Zehetner, F.

  Event: International Soil Science Symposium 2012 - Soil for All

  Period: 07.06.2012  | Location: Jeju, South Korea

• Year: 2012 -  Interactions of organic compounds with soil components – elucidating mechanisms on a molecular level (Poster)

  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

  Period: 10.10.2012 - 12.10.2012  | Location: Dornburg, Germany

• Year: 2011 -  Interactions of organic compounds with soil components – elucidating mechanisms on a molecular level (Poster)

  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

  Period: 26.06.2011 - 01.07.2011  | Location: Montpellier, France

• Year: 2011 -  Role of molecular modeling in joint experiments (Talk)

  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

  Period: 06.10.2011 - 07.10.2011  | Location: Dornburg, Germany

• Year: 2011 -  Interactions of organic pollutants with soil components investigated by means of molecular modeling (Talk)

  Autoren: Gerzabek, M.H., Tunega, D., Aquino, A.J.A., Pasalic, H., Haberhauer, G., Lischka, H.

  Event: Jahrestagung der Deutschen Bodenkundlichen Gesellschaft 2011

  Period: 03.09.2011 - 09.09.2011  | Location: Berlin, Germany

• Year: 2010 -  Interactions of organic pollutants with soil components investigated by means of molecular modelling (Poster)

  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

  Period: 01.08.2010 - 06.08.2010  | Location: Brisbane, Australia

• Year: 2010 -  Interactions of organic compounds with soil components - elucidating mechanisms on a molecular level (Talk)

  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

  Period: 06.10.2010 - 07.10.2010  | Location: Dornburg, Germany

• Year: 2009 -  A DFT study of radical sites in humic acid components (Poster)

  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

  Period: 06.10.2009 - 07.10.2009  | Location: Dornburg, Germany

• Year: 2009 -  Acetic acid dimer in various environments (Poster)

  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

  Period: 06.10.2009 - 07.10.2009  | Location: Dornburg, Germany

• Year: 2009 -  Interactions of organic pollutants with soil components – elucidating mechanisms on a molecular level (Talk)

  Autoren: Gerzabek, M.H., Tunega, D., Lischka, H.,Aquino, A., Pasalic, H., Haberhauer, G., Haas, U.

  Event: Computational Science and Engineering Workshop 2009

  Period: 08.01.2009 - 09.01.2009  | Location: Rust, Austria

• Year: 2009 -  Sorption of selected aromatic substances – application of kinetic concepts and quantum mechanical modeling (Poster)

  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

  Period: 06.10.2009 - 07.10.2009  | Location: Dornburg, Germany

• Year: 2009 -  Alkali metal cations on pyrene – A black carbon model (Talk)

  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

  Period: 06.10.2009 - 07.10.2009  | Location: Dornburg, Germany

• Year: 2009 -  Water- and calcium-bridges in nanopores of humic acid models: Static DFT and dynamic DFTB investigations (Talk)

  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

  Period: 06.10.2009 - 07.10.2009  | Location: Dornburg, Germany

• Year: 2009 -  Wettability of kalolinite surfaces – A molecular dynamics study (Poster)

  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

  Period: 06.10.2009 - 07.10.2009  | Location: Dornburg, Germany

• Year: 2009 -  Boehmite (γ-AlO(OH)) – theoretical study of structural and mechanical properties (Poster)

  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

  Period: 06.10.2009 - 07.10.2009  | Location: Dornburg, Germany

• Year: 2008 -  Time-dependent sorption of selected organic compounds to a natural soil and Ca2+-saturated montmorillonite (Poster)

  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

  Period: 03.07.2008 - 04.07.2008  | Location: Vienna, Austria

• Year: 2008 -  Macro- and nano-scale modelling in order to investigate sorption of selected organic substances (Poster)

  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

  Period: 03.07.2008 - 04.07.2008  | Location: Vienna, Austria

• Year: 2008 -  The stability of water bridges in nanopores of humic acid models - a theoretical study (Poster)

  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

  Period: 03.07.2008 - 04.07.2008  | Location: Vienna, Austria

• Year: 2008 -  Interaction of contaminants with soil interfaces - evidence from experiments and computational chemistry (Talk)

  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

  Period: 29.01.2008  | Location: Jena, Germany

• Year: 2008 -  Interactions of organic pollutants with soil components – elucidating mechanisms on a molecular level (Talk)

  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

  Period: 08.10.2008 - 09.10.2008  | Location: Leipzig, Germany

• Year: 2008 -  Thermodynamical properties of nechmark hydrogen-bonded systems using molecular dynamics and Monte Carlo methods (Poster)

  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

  Period: 03.07.2008 - 04.07.2008  | Location: Vienna, Austria

• Year: 2007 -  Interactions of organic pollutants with soil components - elucidating mechansisms on a molecular level (Talk)

  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

  Period: 25.10.2007 - 26.10.2007  | Location: Leipzig, Germany

• Year: 2006 -  Molecular modelling and its applicability in soil science (Talk)

  Autoren: Tunega, D., Gerzabek, M.H.

  Event: Kolloquium

  Period: 24.01.2006  | Location: Halle, Germany | Location: Berlin, Germany | Location: Halle, Germany

• Year: 2006 -  Modeling of the surface of the mineral goethite (Poster)

  Autoren: Aquino, A.J.A, Tunega, D., Haberhauer, G., Gerzabek, M.H., Lischka, H.

  Event: 42nd Symposium on Theoretical Chemistry

  Period: 03.09.2006 - 06.09.2006  | Location: Erkner, Germany

• Year: 2006 -  Response of sorption properties of soils to soil development, land-use and management. (Poster)

  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

  Period: 09.07.2006 - 15.07.2006  | Location: Philadelphia, PA, USA

• Year: 2006 -  Soil minerals – Computer simulation of sorption properties (Talk)

  Autoren: Tunega, D., Haberhauer, G., Lischka, H., Gerzabek, M.H.

  Event: 18th World Congress of Soil Science 2006

  Period: 09.07.2006 - 15.07.2006  | Location: Philadelphia, PA, USA

• Year: 2006 -  Interaction of the 2,4-dichlorophenoxyacetic acid herbicide with soil organic matter (Talk)

  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

  Period: 14.09.2006  | Location: Sofia, Bulgaria

• Year: 2006 -  Modeling the Adsorption of Toxic Substances to Soil Components (Talk)

  Autoren: Winkler, P., Tscheliessnig, R., Billes, W., Tunega, D., Gerzabek, M. H.

  Event: Spatial Data Methods for Enviromental and Ecological Processes

  Period: 14.09.2006 - 15.09.2006  | Location: Foggia, Italy

• Year: 2006 -  Forschungsergebnisse zum Stoffverhalten im Boden - von der bodenorganischen Substanz bis zum Adsorptionsverhalten (Talk)

  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

  Period: 22.02.2006  | Location: Jülich, Germany

• Year: 2006 -  Adsorption of pesticides to soil components (Talk)

  Autoren: Winkler, P., Tunega, D., Lischka, H., Gerzabek, M.H.

  Event: Jahrestagung der Österreichischen Bodenkundlichen Gesellschaft ÖBG 2006 - Boden als Pflanzenstandort

  Period: 04.05.2006 - 05.05.2006  | Location: Rust, Austria

• Year: 2006 -  Modeling of the surface of the mineral Goethite and its interactions with organic compounds (Talk)

  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

  Period: 14.09.2006  | Location: Sofia, Bulgaria

• Year: 2006 -  Modeling of the surface of the mineral goethite (Poster)

  Autoren: Aquino, A.J.A, Tunega, D., Haberhauer, G., Gerzabek, M.H., Lischka, H.

  Event: Central European Symposium on Theoretical Chemistry 2006

  Period: 24.09.2006 - 27.09.2006  | Location: Zakopane, Poland

• Year: 2005 -  Modeling of the surface of the mineral goethite (Talk)

  Autoren: Aquino, A.J.A., Tunega, D., Haberhauer, G., Gerzabek, M.H., Lischka, H.

  Event: XIII Simposio Brasileiro de Quimica Teoretica

  Period: 20.11.2005 - 23.11.2005  | Location: Sao Pedro, Spain

• Year: 2005 -  Adsorptionseigenschaften von Böden – computerchemische Berechnungen und experimentelle Evidenz (Talk)

  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

  Period: 17.01.2005  | Location: Hanover, Germany

• Year: 2005 -  Theoretical prediction of the adsorption of pesticides on clay mineral surfaces (Poster)

  Autoren: Winkler, P., Tunega, D., Lischka, H., Gerzabek, M.H.

  Event: 9th International FZK/TNO Conference on Soil-Water Systems 2005

  Period: 03.10.2005 - 07.10.2005  | Location: Bordeaux, France

• Year: 2005 -  Modeling of the surface of the mineral goethite (Talk)

  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

  Period: 21.10.2005 - 22.10.2005  | Location: Vienna, Austria

• Year: 2005 -  Modeling of interaction between organic molecules and clay mineral surfaces (Poster)

  Autoren: Winkler, P., Tunega, D., Lischka, H., Gerzabek, M.H.

  Event: IUSS-Symposium 2005 - Advances of molecular modeling - Perspectives for soil research

  Period: 21.10.2005 - 22.10.2005  | Location: Vienna, Austria

• Year: 2005 -  Soil characteristics governing adsorption properties – experimental evidence versus molecular modelling (Talk)

  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

  Period: 21.10.2005 - 22.10.2005  | Location: Vienna, Austria

• Year: 2005 -  Ab initio molecular dynamics of clay mineral surfaces and interfaces. (Talk)

  Autoren: Tunega, D., Lischka, H., Gerzabek, M.H.

  Event: IUSS-Symposium 2005 - Advances of molecular modeling - Perspectives for soil research

  Period: 21.10.2005 - 22.10.2005  | Location: Vienna, Austria

• Year: 2004 -  Modeling molecular interactions on soil minerals (Talk)

  Autoren: Tunega, D., M.H. Gerzabek, H. Lischka

  Event: EUROSOIL 2004

  Period: 04.09.2004 - 12.09.2004  | Location: Freiburg, Germany

• Year: 2004 -  Modeling of molecular interactions in soil systems – possible approaches and limitations (Talk)

  Autoren: Haberhauer, G., M.H. Gerzabek, A. Aquino, D. Tunega, H. Lischka

  Event: 3rd International Conference Interfaces Against Pollution IAP 2004

  Period: 24.05.2004 - 27.05.2004  | Location: Jülich, Germany

• Year: 2003 -  Catalytic effect of clay mineral surfaces on amide bond formation ¿ a theoretical study (Talk)

  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

  Period: 27.06.2003  | Location: Vienna, Austria  | Organizer: Inst. for Soil Research, BOKU Vienna, University Vienna, Eötvös L. Unjiv., Budapest

• Year: 2003 -  Theoretical chemistry ¿ recent applications in soil research (Talk)

  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

  Period: 27.06.2003  | Location: Vienna, Austria  | Organizer: Inst. for Soil Research, BOKU Vienna, University Vienna, Eötvös L. Unjiv., Budapest

• Year: 2003 -  Sorption of 2,4-D pesticide on montmorillonite ¿ an ab initio molecular dynamics study (Talk)

  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

  Period: 27.06.2003  | Location: Vienna, Austria  | Organizer: Inst. for Soil Research, BOKU Vienna, University Vienna, Eötvös L. Unjiv., Budapest

• Year: 2003 -  Applications of Computational Chemistry in Soil Research (Talk)

  Autoren: Gerzabek, M.H., A.J.A. Aquino, G. Haberhauer, D. Tunega and H. Lischka

  Event: XXXIIth Annual Meeting of ESNA

  Period: 10.09.2002 - 14.09.2002  | Location: Warsaw, Poland

• Year: 2003 -  Catalytic effect of clay mineral surfaces on amide bond formation ¿ a theoretical study (Talk)

  Autoren: Aquino, A.J.A., Tunega, D., Haberhauer, G., Gerzabek, M.H., Lischka, H.

  Event: Europa Cat-VI, The European Catalysis Forum 2003

  Period: 31.08.2003 - 04.09.2003  | Location: Innsbruck, Austria

• Year: 2002 -  Application of computational chemistry in soil research. (Talk)

  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)

  Period: 11.09.2002 - 14.09.2002  | Location: Warsaw, Poland

• Molecular modelling ¿ opportunities for soil research. (Talk)

  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. (Talk)

  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 (Talk)

  Autoren: HABERHAUER, G., A. AQUINO, D. TUNEGA, M. GERZABEK und H. LISCHKA