Ralf Tonner
Orcid: 0000-0002-6759-8559Affiliations:
- University of Marburg, Germany
According to our database1,
Ralf Tonner
authored at least 11 papers
between 2006 and 2024.
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Bibliography
2024
Decoding energy decomposition analysis: Machine-learned Insights on the impact of the density functional on the bonding analysis.
J. Comput. Chem., 2024
2023
Bonding character of intermediates in on-surface Ullmann reactions revealed with energy decomposition analysis.
J. Comput. Chem., January, 2023
Chemical bonding of HF, HCl, and H 2 O onto YF 3 surfaces: Quantification by first principles.
J. Comput. Chem., 2023
2021
Efficient hierarchical models for reactivity of organic layers on semiconductor surfaces.
J. Comput. Chem., 2021
2018
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., 2018
2016
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 C<sub>980</sub>.
J. Comput. Chem., 2016
2015
A systematic study of rare gas atoms encapsulated in small fullerenes using dispersion corrected density functional theory.
J. Comput. Chem., 2015
2014
Structure and Properties of the Nonface-Spiral Fullerenes <i>T</i>-C<sub>380</sub>, <i>D</i><sub>3</sub>-C<sub>384</sub>, <i>D</i><sub>3</sub>-C<sub>440</sub>, and D<sub>3</sub>-C<sub>672</sub> and Their Halma and Leapfrog Transforms.
J. Chem. Inf. Model., 2014
Quantitative investigation of bonding characteristics in ternary Zintl anions: Charge and energy analysis of [Sn<sub>2</sub>E<sup>15</sup><sub>2</sub>(ZnPh)]<sup>-</sup> (E<sup>15</sup> = Sb, Bi) and [Sn<sub>2</sub>Sb<sub>5</sub>(ZnPh)<sub>2</sub>]<sup>3-</sup>.
J. Comput. Chem., 2014
2013
Proceedings of the High Performance Computing in Science and Engineering '13, 2013
2006
Proceedings of the High Performance Computing in Science and Engineering, 2006