| Cluster-weighting in bulk phase vibrational circular dichroism J Blasius, B Kirchner The Journal of Physical Chemistry B 124 (33), 7272-7283, 2020 | 25 | 2020 |
| Predicting vibrational spectroscopy for flexible molecules and molecules with non‐idle environments B Kirchner, J Blasius, L Esser, W Reckien Advanced Theory and Simulations 4 (4), 2000223, 2021 | 24 | 2021 |
| Predicting Mole‐Fraction‐Dependent Dissociation for Weak Acids J Blasius, J Ingenmey, E Perlt, M von Domaros, O Hollóczki, B Kirchner Angewandte Chemie International Edition 58 (10), 3212-3216, 2019 | 21 | 2019 |
| A cluster approach for activity coefficients: General theory and implementation J Ingenmey, J Blasius, G Marchelli, A Riegel, B Kirchner Journal of Chemical & Engineering Data 64 (1), 255-261, 2018 | 20 | 2018 |
| Glucose in dry and moist ionic liquid: vibrational circular dichroism, IR, and possible mechanisms J Blasius, R Elfgen, O Hollóczki, B Kirchner Physical Chemistry Chemical Physics 22 (19), 10726-10737, 2020 | 18 | 2020 |
| Cluster analysis in liquids: A novel tool in TRAVIS T Frömbgen, J Blasius, V Alizadeh, A Chaumont, M Brehm, B Kirchner Journal of chemical information and modeling 62 (22), 5634-5644, 2022 | 17 | 2022 |
| Chemistry dissolved in ionic liquids. A theoretical perspective B Kirchner, J Blasius, V Alizadeh, A Gansäuer, O Holloczki The Journal of Physical Chemistry B 126 (4), 766-777, 2022 | 15 | 2022 |
| Dissoziation schwacher Säuren über den gesamten Molenbruchbereich J Blasius, J Ingenmey, E Perlt, M von Domaros, O Hollóczki, B Kirchner Angewandte Chemie 131 (10), 3245-3249, 2019 | 14 | 2019 |
| Recognition in Chiral Ionic Liquids: The Achiral Cation Makes the Difference! J Blasius, P Zaby, O Hollóczki, B Kirchner The Journal of Organic Chemistry 87 (3), 1867-1873, 2021 | 12 | 2021 |
| Liquid Dynamics Determine Transition Metal‐N‐Heterocyclic Carbene Complex Formation P Zaby, J Blasius, AK Müller, SP Nolan, O Hollóczki Chemistry–A European Journal 29 (18), e202203636, 2023 | 10 | 2023 |
| Selective Chirality Transfer to the Bis (trifluoromethylsulfonyl) imide Anion of an Ionic Liquid J Blasius, B Kirchner Chemistry–A European Journal 29 (51), e202301239, 2023 | 6 | 2023 |
| Coexistence of Tellurium Cations and Anions in Phosphonium‐Based Ionic Liquids MA Grasser, T Pietsch, J Blasius, O Hollóczki, E Brunner, T Doert, M Ruck Chemistry–A European Journal 28 (7), e202103770, 2022 | 5 | 2022 |
| Reducing uncertainties in and analysis of ionic liquid trajectories T Frömbgen, J Blasius, L Dick, K Drysch, V Alizadeh, L Wylie, B Kirchner Elsevier, 2024 | 4 | 2024 |
| Uncertainty quantification of phase transition quantities from cluster weighting calculations J Blasius, P Zaby, J Dölz, B Kirchner The Journal of Chemical Physics 157 (1), 2022 | 4 | 2022 |
| Locality in amino-acid based imidazolium ionic liquids W Dong, V Alizadeh, J Blasius, L Wylie, L Dick, Z Fan, B Kirchner Physical Chemistry Chemical Physics 25 (36), 24678-24685, 2023 | 3 | 2023 |
| Conformer weighting and differently sized cluster weighting for nicotine and its phosphorus derivatives S Taherivardanjani, J Blasius, M Brehm, R Dötzer, B Kirchner The Journal of Physical Chemistry A 126 (40), 7070-7083, 2022 | 3 | 2022 |
| Efficient Prediction of Mole Fraction Related Vibrational Frequency Shifts J Blasius, K Drysch, FH Pilz, T Frömbgen, P Kielb, B Kirchner The Journal of Physical Chemistry Letters 14 (47), 10531-10536, 2023 | 2 | 2023 |
| Vibrational Spectra Simulations in Amino Acid-Based Imidazolium Ionic Liquids W Dong, J Blasius, Z Fan, L Wylie The Journal of Physical Chemistry B 128 (27), 6560-6566, 2024 | 1 | 2024 |
| Processing Gray Selenium in Phosphonium-Based Ionic Liquids T Pietsch, J Blasius, J Richter, MA Grasser, O Hollóczki, P Wollmann, ... Inorganic Chemistry 62 (4), 1667-1678, 2023 | 1 | 2023 |
| How do alternative amino acids behave in water? A comparative ab initio molecular dynamics study of solvated α-amino acids and α-amino amidines H Niemöller, J Blasius, O Hollóczki, B Kirchner Journal of Molecular Liquids 367, 120282, 2022 | 1 | 2022 |
Barbara KirchnerProfessor of Theoretical Chemistry, University of BonnVerified email at thch.uni-bonn.de
