Publikationsliste Prof. Dr. Irmgard Frank

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Dehhaghi Y, Boroumandpour F, Frank I, Nadimi E. Water Treatment with Cation Selective Porous Graphene and Boron Nitride Membrane: A Molecular Dynamics Investigation. in 2020 28th Iranian Conference on Electrical Engineering (ICEE). Institute of Electrical and Electronics Engineers Inc. 2020. (Iranian Conference on Electrical Engineering (ICEE)). doi: 10.1109/ICEE50131.2020.9260741

Frank I, Genuit S, Matz F, Oschinski H. Ammonia, water, and hydrogen: Can nuclear motion be described classically? International Journal of Quantum Chemistry. 2020 Feb 15;120(7):e26142. doi: 10.1002/qua.26142

Frank I. Classical Motion of the Nuclei in a Molecule: A Concept Without Alternatives. CHEMISTRYSELECT. 2020 Feb 10;5(6):1872-1877. doi: 10.1002/slct.202000066

Frank I, Siekmann D. First-Principles Simulation of Highly Reactive Systems: Immediacy on a Femtosecond Time Scale. ChemistrySelect. 2020 Mai 4;5(17):5109-5116. doi: 10.1002/slct.202000574

Frank I. Some simple facts about water: CPMD simulation. Molecular physics. 2020 Aug 6;118(21-22):e1802074. doi: 10.1080/00268976.2020.1802074

Kiakojouri A, Nadimi E, Frank I. Ab-Initio Molecular Dynamics Simulation of Condensed-Phase Reactivity: The Electrolysis of Amino Acids and Peptides. Molecules (Basel, Switzerland). 2020 Nov 19;25(22):5415. doi: 10.3390/molecules25225415

Kraus P, Obenchain DA, Herbers S, Wachsmuth D, Frank I, Grabow JU. Xe⋯OCS: Relatively straightforward? Physical Chemistry Chemical Physics. 2020 Mär 14;22(10):5615-5624. Epub 2020 Feb 20. doi: 10.1039/d0cp00334d


Frank I. Ab-Initio Molecular Dynamics Simulation of the Electrolysis of Waste Water. CHEMISTRYSELECT. 2019 Apr 16;4(14):4376-4381. Epub 2019 Apr 15. doi: 10.1002/slct.201900500

Frank I. Carbon Monoxide Playing Ping Pong with a Proton: The Movie. CHEMISTRYSELECT. 2019 Jan 23;4(3):868-872. Epub 2019 Jan 18. doi: 10.1002/slct.201803630

Kraus P, Alznauer HT, Frank I. Modelling Vibrational Dissociation of [H2–HCO]+. CHEMISTRYSELECT. 2019 Sep 5;4(33):9794-9801. doi: 10.1002/slct.201902216, 10.15488/9842

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