Thomas D. Kühne

University of Paderborn 
Theoretical Chemistry, Computational Physics, Quantum Chemistry, Condensed Matter Theory, Electronic Structure Theory
"Thomas Kühne"
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Ojha D, Kühne TD. (2020) "On-The-Fly" Calculation of the Vibrational Sum-Frequency Generation Spectrum at the Air-Water Interface. Molecules (Basel, Switzerland). 25
Elgabarty H, Kampfrath T, Bonthuis DJ, et al. (2020) Energy transfer within the hydrogen bonding network of water following resonant terahertz excitation. Science Advances. 6: eaay7074
Elgabarty H, Kühne TD. (2020) Tumbling with a limp: local asymmetry in water's hydrogen bond network and its consequences. Physical Chemistry Chemical Physics : Pccp
Sahoo SK, Heske J, Azadi S, et al. (2020) On the Possibility of Helium Adsorption in Nitrogen Doped Graphitic Materials. Scientific Reports. 10: 5832
Elizabeth A, Sahoo SK, Lockhorn D, et al. (2020) Oxidation/reduction cycles and their reversible effect on the dipole formation at CuInSe 2 surfaces Physical Review Materials. 4: 63401
Kühne TD, Heske J, Prodan E. (2020) Disordered crystals from first principles II: Transport coefficients Annals of Physics. 421: 168290
Elizabeth A, Conradi H, Sahoo SK, et al. (2020) Correlating facet orientation, defect-level density and dipole layer formation at the surface of polycrystalline CuInSe2 thin films Acta Materialia. 16323
Clark T, Heske J, Kühne T. (2019) Opposing electronic and nuclear quantum effects on hydrogen bonds in H2O and D2O. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
Elgabarty H, Kaliannan NK, Kühne TD. (2019) Enhancement of the local asymmetry in the hydrogen bond network of liquid water by an ultrafast electric field pulse. Scientific Reports. 9: 10002
Ojha D, Karhan K, Kühne TD. (2018) On the Hydrogen Bond Strength and Vibrational Spectroscopy of Liquid Water. Scientific Reports. 8: 16888
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