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Publications

2022

• B. Kirchner, J. Blasius, V. Alizadeh, A. Gansäuer, O. Hollóczki, Chemistry Dissolved in Ionic Liquids. A Theoretical Perspective, J. Phys. Chem. B, 2022, 126 (4) 766-777.

• J. Blasius, P. Zaby, O. Hollóczki, B. Kirchner, Recognition in Chiral Ionic Liquids: The Achiral Cation Makes the Difference!, J. Org. Chem., 2022, 87 (3), 1867-1873.

2021

• M. A. Grasser, T. Pietsch, J. Blasius, O. Hollóczki, E. Brunner, T. Doert, M. Ruck, Coexistence of Tellurium Cations and Anions in Phosphonium-Based Ionic Liquids, Chem. Eur. J., 2021.

• B. Kirchner, J. Blasius, L. Esser, W. Reckien, Predicting Vibrational Spectroscopy for Flexible Molecules and Molecules with Non-Idle Environments, Adv. Theory Simul., 2021, 4 (4), 2000223.

2020

• J. Blasius, B. Kirchner, Cluster-Weighting in Bulk Phase Vibrational Circular Dichroism, J. Phys. Chem. B, 2020, 124 (33), 7272-7283.

• J. Blasius, R. Elfgen, O. Hollóczki, B. Kirchner, Glucose in dry and moist ionic liquid: Vibrational Circular Dichroism, IR and possible mechanisms, Phys. Chem. Chem. Phys., 2020, 22 (19), 10726-10737.

2019

• J. Blasius, E. Perlt, J. Ingenmey, M. von Domaros, O. Hollóczki, B. Kirchner, Predicting mole fraction dependent dissociation for weak acidsAngew. Chem. Int. Ed., 2019, 58 (10), 3212-3216.

• J. Blasius, E. Perlt, J. Ingenmey, M. von Domaros, O. Hollóczki, B. Kirchner, Dissoziation schwacher Säuren über den gesamten MolenbruchbereichAngew. Chem., 2019, 131 (10), 3245-3249.

• J. Ingenmey, J. Blasius, G. Marchelli, A. Riegel, B. Kirchner, A Cluster Approach for Activity Coefficients: General Theory and Implementation, J. Chem. Eng. Data, 2019, 64 (1), 255-261.