Showing results 31 - 40 out of 97
2018
Frank, I. (2018). Ladderenes: The mechanochemistry and the photochemistry of an exciting class of substances. Chemical physics letters, 702, 76-81. https://doi.org/10.1016/j.cplett.2018.04.058
Frank, I., & Kraus, P. (2018). The tardy dance of molecular orbitals. International Journal of Quantum Chemistry, 118(20), Article e25718. https://doi.org/10.1002/qua.25718
Kraus, P., Obenchain, D. A., & Frank, I. (2018). Benchmark-Quality Semiexperimental Structural Parameters of van der Waals Complexes. Journal of Physical Chemistry A, 122(4), 1077-1087. https://doi.org/10.1021/acs.jpca.7b10797
Kraus, P., & Frank, I. (2018). Constrained Chemical Dynamics of CO Dissociation/Hydrogenation on Rh Surfaces. Chemistry - A European Journal, 24(28), 7188-7199. https://doi.org/10.1002/chem.201705867
Kraus, P., & Frank, I. (2018). Density Functional Theory for Microwave Spectroscopy of Noncovalent Complexes: A Benchmark Study. Journal of Physical Chemistry A, 122(21), 4894-4901. https://doi.org/10.1021/acs.jpca.8b03345
2017
Frank, I. (2017). A single-molecule reaction cascade: First-principles molecular dynamics simulation. International Journal of Quantum Chemistry, 117(16), Article e25395. https://doi.org/10.1002/qua.25395
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. 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
