Showing results 21 - 30 out of 97
2020
Frank, I., Genuit, S., Matz, F., & Oschinski, H. (2020). Ammonia, water, and hydrogen: Can nuclear motion be described classically? International Journal of Quantum Chemistry, 120(7), Article e26142. https://doi.org/10.1002/qua.26142
Frank, I. (2020). Classical Motion of the Nuclei in a Molecule: A Concept Without Alternatives. CHEMISTRYSELECT, 5(6), 1872-1877. https://doi.org/10.1002/slct.202000066
Frank, I., & Siekmann, D. (2020). First-Principles Simulation of Highly Reactive Systems: Immediacy on a Femtosecond Time Scale. ChemistrySelect, 5(17), 5109-5116. https://doi.org/10.1002/slct.202000574
Frank, I. (2020). Some simple facts about water: CPMD simulation. Molecular physics, 118(21-22), Article e1802074. https://doi.org/10.1080/00268976.2020.1802074
Kiakojouri, A., Nadimi, E., & Frank, I. (2020). Ab-Initio Molecular Dynamics Simulation of Condensed-Phase Reactivity: The Electrolysis of Amino Acids and Peptides. Molecules (Basel, Switzerland), 25(22), Article 5415. https://doi.org/10.3390/molecules25225415
Kraus, P., Obenchain, D. A., Herbers, S., Wachsmuth, D., Frank, I., & Grabow, J. U. (2020). Xe⋯OCS: Relatively straightforward? Physical Chemistry Chemical Physics, 22(10), 5615-5624. https://doi.org/10.1039/d0cp00334d
2019
Frank, I. (2019). Ab-Initio Molecular Dynamics Simulation of the Electrolysis of Waste Water. CHEMISTRYSELECT, 4(14), 4376-4381. https://doi.org/10.1002/slct.201900500
Frank, I. (2019). Carbon Monoxide Playing Ping Pong with a Proton: The Movie. CHEMISTRYSELECT, 4(3), 868-872. https://doi.org/10.1002/slct.201803630
Kraus, P., Alznauer, H. T., & Frank, I. (2019). Modelling Vibrational Dissociation of [H2–HCO]+. CHEMISTRYSELECT, 4(33), 9794-9801. https://doi.org/10.1002/slct.201902216, https://doi.org/10.15488/9842
Kraus, P., & Frank, I. (2019). Validating additive correction schemes against gradient-based extrapolations. International Journal of Quantum Chemistry, 119(16), Article e25953. https://doi.org/10.1002/qua.25953
