Irmgard Frank
Affiliations: | Physical Chemistry | Leibniz Universität Hannover, Hannover, Lower Saxony, Germany |
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Parents
Sign in to add mentor| Sigrid Doris Peyerimhoff | grad student | 1995 | University of Bonn |
| Christoph Bräuchle | post-doc | 2000-2004 | Universität München |
| Christoph Bräuchle | research scientist | 2004-2008 | Universität München |
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Publications
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| Kraus P, Obenchain DA, Herbers S, et al. (2020) XeOCS: relatively straightforward? Physical Chemistry Chemical Physics : Pccp |
| Kraus P, Frank I. (2019) Validating additive correction schemes against gradient‐based extrapolations International Journal of Quantum Chemistry. 119 |
| Kraus P, Frank I. (2018) Density Functional Theory for Microwave Spectroscopy of Non-Covalent Complexes: A Benchmark Study. The Journal of Physical Chemistry. A |
| Kraus P, Frank I. (2018) Constrained chemical dynamics of CO dissociation/hydrogenation on Rh surfaces. Chemistry (Weinheim An Der Bergstrasse, Germany) |
| Kraus P, Obenchain DA, Frank I. (2018) Benchmark-Quality Semi-Experimental Structural Parameters of Van Der Waals Complexes. The Journal of Physical Chemistry. A |
| Frank I, Kraus P. (2018) The tardy dance of molecular orbitals International Journal of Quantum Chemistry. 118: e25718 |
| Kraus P, Frank I. (2017) On the dynamics of H2 adsorption on the Pt(111) surface International Journal of Quantum Chemistry. 117: e25407 |
| Frank I. (2017) A single-molecule reaction cascade: First-principles molecular dynamics simulation International Journal of Quantum Chemistry. 117: e25395 |
| Hofbauer F, Frank I. (2012) CPMD simulation of a bimolecular chemical reaction: nucleophilic attack of a disulfide bond under mechanical stress. Chemistry (Weinheim An Der Bergstrasse, Germany). 18: 16332-8 |
| Hofbauer F, Frank I. (2012) Electrolysis of water in the diffusion layer: first-principles molecular dynamics simulation. Chemistry (Weinheim An Der Bergstrasse, Germany). 18: 277-82 |