Showing results 31 - 40 out of 91
2017
Kraus, P., & Frank, I. (2017). On the dynamics of H2 adsorption on the Pt(111) surface. International Journal of Quantum Chemistry, 117(17), Article e25407. Advance online publication. https://doi.org/10.1002/qua.25407
2016
Frank, I. (2016). Nuclear motion is classical. Advance online publication. https://arxiv.org/abs/1605.06954
Frank, I. (2016). The chemistry induced by mechanical load. Advance online publication. https://arxiv.org/abs/1605.03441
2014
Frank, I. (2014). On the Classical Description of Nuclear Motion. Advance online publication. https://arxiv.org/abs/1402.1133
2012
Alznauer, T., & Frank, I. (2012). Car-Parrinello Molecular Dynamics With A Sinusoidal Time-Dependent Potential Field. Advance online publication. 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. Advance online publication. 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. Advance online publication. 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. Advance online publication. https://doi.org/10.1002/chem.201002094
Schulte, M., & Frank, I. (2012). Car-Parrinello Simulation of the Reaction of Aluminium with Oxygen. Advance online publication. 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
