Georg Kastlunger

Affiliations: 
Technical University of Denmark 
Area:
Chemistry, Physics, Solid State Theory, Catalysis, Electrochemistry
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"Georg Kastlunger"
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Publications

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Leary E, Kastlunger G, Limburg B, et al. (2020) Long-lived charged states of single porphyrin-tape junctions under ambient conditions. Nanoscale Horizons
Ge A, Kastlunger G, Meng J, et al. (2020) On the Coupling of Electron Transfer to Proton Transfer at Electrified Interfaces. Journal of the American Chemical Society
Lindgren P, Kastlunger G, Peterson AA. (2019) Scaled and Dynamic Optimizations of Nudged Elastic Bands. Journal of Chemical Theory and Computation
Zhang YJ, Khorshidi A, Kastlunger G, et al. (2018) The potential for machine learning in hybrid QM/MM calculations. The Journal of Chemical Physics. 148: 241740
Kastlunger G, Stadler R. (2016) Bias-induced conductance switching in single molecule junctions containing a redox-active transition metal complex. Monatshefte Fur Chemie. 147: 1675-1686
Schwarz F, Koch M, Kastlunger G, et al. (2016) Charge Transport and Conductance Switching of Redox-Active Azulene Derivatives. Angewandte Chemie (International Ed. in English)
Schwarz F, Kastlunger G, Lissel F, et al. (2015) Field-induced conductance switching by charge-state alternation in organometallic single-molecule junctions. Nature Nanotechnology
Kastlunger G, Stadler R. (2015) Density functional theory based direct comparison of coherent tunneling and electron hopping in redox-active single-molecule junctions Physical Review B - Condensed Matter and Materials Physics. 91
Schwarz F, Kastlunger G, Lissel F, et al. (2014) High-conductive organometallic molecular wires with delocalized electron systems strongly coupled to metal electrodes. Nano Letters. 14: 5932-40
Kastlunger G, Stadler R. (2014) Density functional theory based calculations of the transfer integral in a redox-active single-molecule junction Physical Review B - Condensed Matter and Materials Physics. 89
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