Publications obtained by using VSC

Here are the scientific Publications of the various Projects on the VSC, while a collection of interesting articles for the general audience can be found in the main menu at Presscorner.
 



8 entries found
with the tags: 2019 x BOKU Wien x
  • Perthold Jan Walther, Oostenbrink Chris
    GroScore: Accurate Scoring of Protein-Protein Binding Poses using Explicit-Solvent Free-Energy Calculations.
    Journal of chemical information and modeling None, (2019)
  • Ondruch Pavel, Kucerik Jiri, Tunega Daniel, Silva Nadeesha J., Aquino Adelia J. A., Schaumann Gabriele E.
    Influence of water molecule bridges on sequestration of phenol in soil organic matter of sapric histosol
    ENVIRONMENTAL CHEMISTRY 16, 541 (2019)
  • Petrov Drazen, Tunega Daniel, Gerzabek Martin H., Oostenbrink Chris
    Molecular modelling of sorption processes of a range of diverse small organic molecules in Leonardite humic acid
    EUROPEAN JOURNAL OF SOIL SCIENCE None, (2019)
  • Tunega Daniel, Gerzabek Martin H., Haberhauer Georg, Lischka Hans, Solc Roland, Aquino Adelia J. A.
    Adsorption process of polar and nonpolar compounds in a nanopore model of humic substances
    EUROPEAN JOURNAL OF SOIL SCIENCE None, (2019)
  • Shancita I., Campbell Loudon Lee, Wu Chi-Chin, Aquino Adelia J. A., Walck Scott D., Tunega Daniel, Pantoya Michelle L.
    Effect of Hydration on Promoting Oxidative Reactions with Aluminum Oxide and Oxyhydroxide Nanoparticles
    JOURNAL OF PHYSICAL CHEMISTRY C 123, 15017 (2019)
  • Ridley Moira K., Lischka Hans, Tunega Daniel, Aquino Adelia J. A.
    Solvent effect on Al(III) hydrolysis constants from density functional theory
    MOLECULAR PHYSICS 117, 1507 (2019)
  • Scholtzova Eva, Tunega Daniel
    Density functional theory study of the stability of the tetrabutylphosphonium and tetrabutylammonium montmorillonites
    CLAY MINERALS 54, 41 (2019)
  • Laurent Christophe V. F. P., Breslmayr Erik, Tunega Daniel, Ludwig Roland, Oostenbrink Chris
    Interaction between Cellobiose Dehydrogenase and Lytic Polysaccharide Monooxygenase
    BIOCHEMISTRY 58, 1226 (2019)

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