List of Publications Prof. Dr. Irmgard Frank
2018
Frank I. Ladderenes: The mechanochemistry and the photochemistry of an exciting class of substances. Chemical physics letters. 2018 Jun 16;702:76-81.
Frank I, Kraus P. The tardy dance of molecular orbitals. International Journal of Quantum Chemistry. 2018 Oct 15;118(20). e25718.
Kraus P, Obenchain DA, Frank I. Benchmark-Quality Semiexperimental Structural Parameters of van der Waals Complexes. Journal of Physical Chemistry A. 2018 Feb 1;122(4):1077-1087.
Kraus P, Frank I. Constrained Chemical Dynamics of CO Dissociation/Hydrogenation on Rh Surfaces. Chemistry - A European Journal. 2018 May 17;24(28):7188-7199.
Kraus P, Frank I. Density Functional Theory for Microwave Spectroscopy of Noncovalent Complexes: A Benchmark Study. Journal of Physical Chemistry A. 2018 May 31;122(21):4894-4901.
2017
Frank I. A single-molecule reaction cascade: First-principles molecular dynamics simulation. International Journal of Quantum Chemistry. 2017 Aug 15;117(16). e25395.
Kraus P, Frank I. On the dynamics of H2 adsorption on the Pt(111) surface. International Journal of Quantum Chemistry. 2017 Sep 5;117(17). e25407.
2016
Frank I. Nuclear motion is classical. 2016 May 23.
Frank I. The chemistry induced by mechanical load. 2016 May 11.
2014
Frank I. On the Classical Description of Nuclear Motion. 2014 Feb 5.
