2016
Frank, I. (2016). Nuclear motion is classical. https://arxiv.org/abs/1605.06954
Frank, I. (2016). The chemistry induced by mechanical load. https://arxiv.org/abs/1605.03441
2014
Frank, I. (2014). On the Classical Description of Nuclear Motion. https://arxiv.org/abs/1402.1133
2012
Alznauer, T., & Frank, I. (2012). Car-Parrinello Molecular Dynamics With A Sinusoidal Time-Dependent Potential Field. https://arxiv.org/abs/1208.4976
Coughtrie, D. J., Frank, I., & Friedrichs, J. (2012). First-principles simulation of a photoinduced carbocation formation. Chemical Physics, 402, 69-73. https://doi.org/10.1016/j.chemphys.2012.04.003
Hofbauer, F., & Frank, I. (2012). CPMD simulation of a bimolecular chemical reaction: Nucleophilic attack of a disulfide bond under mechanical stress. Chemistry - a European journal, 18(51), 16332-16338. https://doi.org/10.1002/chem.201202065
Hofbauer, F., & Frank, I. (2012). Electrolysis of water in the diffusion layer: First-principles molecular dynamics simulation. Chemistry - A European Journal, 18(1), 277-282. https://doi.org/10.1002/chem.201002094
Schulte, M., & Frank, I. (2012). Car-Parrinello Simulation of the Reaction of Aluminium with Oxygen. https://arxiv.org/abs/1208.4969
2011
Lupton, E. M., & Frank, I. (2011). Mechanically induced chemistry: First principles simulation. In Chemical Modelling Applications and Theory (pp. 99-126). (Chemical Modelling; Vol. 8). Royal Society of Chemistry. https://doi.org/10.1039/9781849732789-00099
Schulte, M., & Frank, I. (2011). Car-Parrinello simulations of Prussian blue: Structure, dynamics, and electronic properties. Journal of Physical Chemistry C, 115(28), 13560-13565. https://doi.org/10.1021/jp1110696
