Daniel Tunega

Vorträge

• : 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

  : AIPEA ECCS Bimonthly Webinar Series

• : 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

  : Centennial Celebration and Congress of the International Union of Soil Sciences IUSS 2024

• : 2023 -  Tonminerale als Sorbenten für hydrophobe organische Chemikalien

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

  : Jahrestagung der Deutschen Bodenkundlichen Gesellschaft

• : 2023 -  Reductive dechlorination of chlorinated ethenes by iron nitride nanoparticles

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

  : Goldschmidt Conference 2023

• : 2023 -  Characterization of soil microaggregates at the microscopic level using molecular dynamics

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

  : International Conference of European Clay Groups Association EUROCLAY 2023

• : 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

  : EGU

• : 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

  : EGU General Assembly 2023

• : 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

  : Goldschmidt Conference 2023

• : 2023 -  Tonminerale als Sorbenten für hydrophobe organische Chemikalien: Betrachtung von Einflussfaktoren

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

  : Gemeinsame Tagung von SETAC GLB und GDCh FG U&Ö

• : 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

  : Euroclay conference

• : 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

  : Euroclay conference

• : 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

  : 22nd World Congress of Soil Sciences 2022

• : 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.

  : Jahrestagung der Deutschen Bodenkundlichen Gesellschaft DBG 2022

• : 2022 -  Molecular scale view at organo–mineral aggregates

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

  : 22nd World Congress of Soil Sciences 2022

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

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

  : 22nd World Congress of Soil Sciences 2022

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

  Autoren: Tunega, D; Brumovsky, M

  : GeoMinKöln 2022

• : 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

  : Goldschmidt Conference 2022

• : 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.

  : Jahrestagung der Deutschen Bodenkundlichen Gesellschaft DBG 2022

• : 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

  : European Geosciences Union EGU General Assembly 2021

• : 2021 -  Intermolecular Interactions between Soil Organic Matter and Clay Minerals

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

  : EUROSOIL 2021

• : 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.

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

• : 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.

  : EUROSOIL 2021

• : 2021 -  Glyphosate adsorption onto clay minerals

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

  : BCAS Semestertouchdown

• : 2020 -  Glyphosate adsorption onto clay minerals

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

  : ELLS Scientific Student Conference 2020 - The World of Tomorrow – A Green and Sustainable Society

• : 2019 -  Molecular dynamics simulations of soil condensed phases

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

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

• : 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

  : 21st World Congress of Soil Science WCSS 2018

• : 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

  : 21st World Congress of Soil Science WCSS 2018

• : 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.

  : Jahrestagung der Deutschen Bodenkundlichen Gesellschaft 2017

• : 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.

  : The 20th World Congress of Soil Science 2014

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

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

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

• : 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

• : 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

  : International Symposium 2014 Biogeochemical Interfaces in Soil: Towards a Comprehensive and Mechanistic Understanding of Soil Functions

• : 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

• : 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

• : 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 -  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 -  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.

  : Gastvorlesung an der Universität Wien 2012

• : 2012 -  Wettability of Mineral Surfaces - Molecular Dynamics Simulations

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

  : Mid-European Clay Conference 2012

• : 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 -  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

  : 4th International Congress EUROSOIL 2012

• : 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.

  : International Soil Science Symposium 2012 - Soil for All

• : 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

• : 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 -  A DFT study of radical sites in humic acid components

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

  : DFG-IUSS Symposium 2009 - Advances of Molecular Moedling of Biogeochemical Interfaces – Perspectives for Soil Research

• : 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

• : 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 -  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 -  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 -  Wettability of kalolinite surfaces – A molecular dynamics study

  Autoren: Solc, R., Pasalic, H., Tunega, D., Gerzabek, M.H., Lischka, H.

  : DFG-IUSS Symposium 2009 - Advances of Molecular Moedling of Biogeochemical Interfaces – Perspectives for Soil Research

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

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

  : DFG-IUSS Symposium 2009 - Advances of Molecular Moedling of Biogeochemical Interfaces – Perspectives for Soil Research

• : 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 -  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 -  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

• : 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

  : EUROSOIL 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 -  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

  : EUROSOIL 2008

• : 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 -  Surface properties of hydrous iron oxides: a model study

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

  : EUROSOIL 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 -  Molecular modelling and its applicability in soil science

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

  : Kolloquium

• : 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 -  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.

  : 18th World Congress of Soil Science 2006

• : 2006 -  Soil minerals – Computer simulation of sorption properties

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

  : 18th World Congress of Soil Science 2006

• : 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

• : 2006 -  Modeling the Adsorption of Toxic Substances to Soil Components

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

  : Spatial Data Methods for Enviromental and Ecological Processes

• : 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 -  Adsorption of pesticides to soil components

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

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

• : 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 -  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

• : 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 -  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 -  Theoretical prediction of the adsorption of pesticides on clay mineral surfaces

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

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

• : 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 -  Modeling of interaction between organic molecules and clay mineral surfaces

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

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

• : 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

• : 2005 -  Ab initio molecular dynamics of clay mineral surfaces and interfaces.

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

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

• : 2004 -  Modeling molecular interactions on soil minerals

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

  : EUROSOIL 2004

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

  : Symposium on Recent Developments in Computational Chemistry - Can Theory Answer Questions in Applied Natural Sciences? 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 -  Sorption of 2,4-D pesticide on montmorillonite ¿ an ab initio molecular dynamics study

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

  : Europa Cat-VI, The European Catalysis Forum 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

• 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