 | Julia Haberhauer University of Vienna Institute of Theoretical Chemistry Währinger Str. 17 1090 Vienna Austria julia.haberhauer@rub.de |
| Publications |
Surface Hopping Simulations Reveal Deactivation Pathways of a Charge Transfer System with Planarizing and Twisting Motion Phys. Chem. Chem. Phys., (accepted), (2025) 4. H. Pasalic, A. J. A. Aquino, D. Tunega, G. Haberhauer, M. H. Gerzabek, H. Lischka Cation-π interactions in competition with cation microhydration: A theoretical study of alkali metal cation-pyrene complexes J. Mol. Model. 23, 131, (2017), DOI: 10.1007/s00894-017-3302-3 3. A. J. A. Aquino, D. Tunega, G. E. Schaumann, G. Haberhauer, M. H. Gerzabek, H. Lischka Proton transfer processes in polar regions of humic substances initiated by aqueous aluminum cation bridges: A computational study Geoderma 213, 115-123, (2014), DOI: 10.1016/j.geoderma.2013.08.001 2. A.J.A. Aquino, D. Tunega, G.E. Schaumann, G. Haberhauer, M.H. Gerzabek, H. Lischka The functionality of cation bridges for binding polar groups in soil aggregates Int. Jouranl of Quantum Chemistry 111, 1531-1542, (2011), DOI: 10.1002/qua.22693 1. S. Klepsch, A.J.A. Aquino, U. Haas, D. Tunega, G. Haberhauer, M.H. Gerzabek, H. Lischka Sorption of selected aromatic substances - application of kinetic concepts and quantum mechanical modeling Water Air Soil Pollut. 215, 449-464, (2011), DOI: 10.1007/s11270-010-0490-1 |