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Unraveling the Morphology of [CnC1Im]Cl Ionic Liquids Combining Cluster and Aggregation Analyses.
J Phys Chem B. 2024 Apr 25;128(16):3937-3945. doi: 10.1021/acs.jpcb.3c08317. Epub 2024 Apr 15.
J Phys Chem B. 2024.
PMID: 38621255
Free PMC article.
Quantum Cluster Equilibrium Theory for Multicomponent Liquids.
Frömbgen T, Drysch K, Zaby P, Dölz J, Ingenmey J, Kirchner B.
Frömbgen T, et al.
J Chem Theory Comput. 2024 Mar 12;20(5):1838-1846. doi: 10.1021/acs.jctc.3c00799. Epub 2024 Feb 19.
J Chem Theory Comput. 2024.
PMID: 38372002
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Efficient Prediction of Mole Fraction Related Vibrational Frequency Shifts.
Blasius J, Drysch K, Pilz FH, Frömbgen T, Kielb P, Kirchner B.
Blasius J, et al. Among authors: frombgen t.
J Phys Chem Lett. 2023 Nov 30;14(47):10531-10536. doi: 10.1021/acs.jpclett.3c02761. Epub 2023 Nov 16.
J Phys Chem Lett. 2023.
PMID: 37972218
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Cluster Analysis in Liquids: A Novel Tool in TRAVIS.
Frömbgen T, Blasius J, Alizadeh V, Chaumont A, Brehm M, Kirchner B.
Frömbgen T, et al.
J Chem Inf Model. 2022 Nov 28;62(22):5634-5644. doi: 10.1021/acs.jcim.2c01244. Epub 2022 Oct 31.
J Chem Inf Model. 2022.
PMID: 36315975
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