InstitutePeopleIrmgard Frank
List of publications

List of Publications Prof. Dr. Irmgard Frank


Showing entries 21 - 30 out of 88
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2018


Frank I. Ladderenes: The mechanochemistry and the photochemistry of an exciting class of substances. Chemical physics letters. 2018 Jun 16;702:76-81.

doi.org/10.1016/j.cplett.2018.04.058

Frank I, Kraus P. The tardy dance of molecular orbitals. International Journal of Quantum Chemistry. 2018 Oct 15;118(20). e25718.

doi.org/10.1002/qua.25718

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.

doi.org/10.1021/acs.jpca.7b10797

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.

doi.org/10.1002/chem.201705867

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.

doi.org/10.1021/acs.jpca.8b03345


2017


Frank I. A single-molecule reaction cascade: First-principles molecular dynamics simulation. International Journal of Quantum Chemistry. 2017 Aug 15;117(16). e25395.

doi.org/10.1002/qua.25395

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.

doi.org/10.1002/qua.25407


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.


Showing entries 21 - 30 out of 88
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