Tom Frömbgen

Uncertainty Quantification for Bulk Phase Vibrational Spectroscopy

Publications

J. Blasius, K. Drysch, F. Pilz, T. Frömbgen, P. Kielb, B. Kirchner, Efficient Prediction of Mole Fraction Related Vibrational Frequency Shifts, J. Phys. Chem. Lett. (2023), 14, 10531–10536. DOI: 10.1021/acs.jpclett.3c02761

Frömbgen, T.; Blasius, J.; Dick, L.; Drysch, K.; Alizadeh, V.; Wylie, L.; Kirchner, B., Reducing Uncertainties in and Analysis of Ionic Liquid Trajectories, Reference Module in Chemistry, Molecular Sciences and Chemical Engineering (2023). https://doi.org/10.1016/B978-0-12-821978-2.00097-0.

Frömbgen, T.; Blasius, J.; Alizadeh, V.; Chaumont, A.; Brehm, M.; Kirchner, B., Cluster analysis in liquids: a novel tool in TRAVIS. J. Chem. Inf. Model. 2022, 62, 5634-5644, https://doi.org/10.1021/acs.jcim.2c01244.

Tom Frömbgen
froembgen(at)thch.uni-bonn.de

Group: Prof. Barbara Kirchner, Mulliken Center for Theoretical Chemistry, Clausius-Institute for Physical and Theoretical Chemistry, University of Bonn