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ORCIDRalf Tonner
Person information
- affiliation: University of Marburg, Germany
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Journal Articles
- 2024
[j9]Toni Oestereich
, Ralf Tonner-Zech, Julia Westermayr:
Decoding energy decomposition analysis: Machine-learned Insights on the impact of the density functional on the bonding analysis. J. Comput. Chem. 45(7): 368-376 (2024)- 2023
- [j8]Jan-Niclas Luy, Pascal Henkel, Daniel Grigjanis, Jannis Jung, Doreen Mollenhauer, Ralf Tonner-Zech:
Bonding character of intermediates in on-surface Ullmann reactions revealed with energy decomposition analysis. J. Comput. Chem. 44(3): 179-189 (2023) - [j7]Jennifer Anders, Henrik Wiedenhaupt, Florian Kreuter, Ralf Tonner-Zech, Beate Paulus:
Chemical bonding of HF, HCl, and H 2 O onto YF 3 surfaces: Quantification by first principles. J. Comput. Chem. 44(25): 1986-1997 (2023) - 2021
- [j6]Jan-Niclas Luy, Mahlet Molla, Lisa Pecher, Ralf Tonner:
Efficient hierarchical models for reactivity of organic layers on semiconductor surfaces. J. Comput. Chem. 42(12): 827-839 (2021) - 2018
- [j5]Jaita Banerjee, Stefan Behnle, Martin C. E. Galbraith, Volker Settels, Bernd Engels, Ralf Tonner, Reinhold F. Fink:
Comparison of the periodic slab approach with the finite cluster description of metal-organic interfaces at the example of PTCDA on Ag(110). J. Comput. Chem. 39(14): 844-852 (2018) - 2016
- [j4]Lukas N. Wirz, Ralf Tonner, Andreas Hermann, Rebecca Sure, Peter Schwerdtfeger:
From small fullerenes to the graphene limit: A harmonic force-field method for fullerenes and a comparison to density functional calculations for Goldberg-Coxeter fullerenes up to C980. J. Comput. Chem. 37(1): 10-17 (2016) - 2015
- [j3]Rebecca Sure, Ralf Tonner, Peter Schwerdtfeger:
A systematic study of rare gas atoms encapsulated in small fullerenes using dispersion corrected density functional theory. J. Comput. Chem. 36(2): 88-96 (2015) - 2014
- [j2]Marc Raupach, Stefanie Dehnen, Ralf Tonner:
Quantitative investigation of bonding characteristics in ternary Zintl anions: Charge and energy analysis of [Sn2E152(ZnPh)]- (E15 = Sb, Bi) and [Sn2Sb5(ZnPh)2]3-. J. Comput. Chem. 35(14): 1045-1057 (2014) - [j1]Lukas Wirz, Ralf Tonner, James Avery, Peter Schwerdtfeger:
Structure and Properties of the Nonface-Spiral Fullerenes T-C380, D3-C384, D3-C440, and D3-C672 and Their Halma and Leapfrog Transforms. J. Chem. Inf. Model. 54(1): 121-130 (2014)
Parts in Books or Collections
- 2013
- [p2]Andreas Stegmüller, Ralf Tonner:
From Molecules to Thin Films: GaP Nucleation on Si Substrates. High Performance Computing in Science and Engineering 2013: 185-199 - 2006
- [p1]Ralf Tonner, Gernot Frenking:
Computational Chemistry. High Performance Computing in Science and Engineering 2006: 245-256
Coauthor Index
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