Daniel Tunega
Priv.-Doz. Dr. Daniel Tunega
Institut Institut für Bodenforschung
Standort Peter-Jordan-Straße 82, 1190 Wien
Email daniel.tunega@boku.ac.at
Tel: +43 1 47654-91148
Projekte
Es wurden 0 Projekte gefunden.
Publikationen
Wissentransfer in die Gesellschaft
Medienbeiträge
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
(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) 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) 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) 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
(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)
Surface properties of hydrous iron oxides: a model study
Autoren: Tunega, D., A.J.A. Aquino, G. Haberhauer, M.H. Gerzabek, H. Lischka
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
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
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
Understanding of adsorption and degradation of halogenated hydrocarbons at mineral surfaces
Autoren: de Azevedo Barbosa, A.C.; Tunega, D.; Gerzabek, M.H.; Oostenbrink, C.
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
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
Characterization of soil microaggregates at the microscopic level using molecular dynamics
Autoren: Galicia-Andrés, E; Tunega, D; Gerzabek, MH; Oostenbrink, C
Reductive dechlorination of chlorinated ethenes by iron nitride nanoparticles
Autoren: Brumovsky, M; Micic, V; Oborna, J; Filip, J; Hofmann, T; Tunega, D
Tonminerale als Sorbenten für hydrophobe organische Chemikalien
Autoren: Böhm, L; Grancic, P; Siemens, J; Tunega, D; Gerzabek, MH