Tom Frömbgen

Uncertainty Quantification for Bulk Phase Vibrational Spectroscopy

T. Frömbgen, K. Drysch, P. Zaby, J. Dölz, J. Ingenmey, B. Kirchner, Quantum Cluster Equilibrium Theory for Multicomponent Liquids, J. Chem. Theory Comput. (2024), tba. 10.1021/acs.jctc.3c00799

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.