Barbara Kirchner (B Kirchner)

ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 56

Top Venues

The journal of physical chemistry. B

The Journal of chemical physics

Molecules (Basel, Switzerland)

ChemSusChem

University of Bonn

This page only lists publications with an associated author ORCID identifier.

Affiliation History

University of Bonn Jan 01 2013

Germany

Professor :: Mulliken Center

Publications

Tom Frömbgen, Katrin Drysch, Paul Zaby, Jürgen Dölz, Johannes Ingenmey, Barbara Kirchner
Quantum Cluster Equilibrium Theory for Multicomponent Liquids. Journal of chemical theory and computation 20 (5) (2024)
Leonard Dick, Kai Buchmüller, Barbara Kirchner
Coordination Behavior of a Confined Ionic Liquid in Carbon Nanotubes from Molecular Dynamics Simulations. The journal of physical chemistry. B 128 (18) (2024)
Tom Frömbgen, José Nuno Canongia Lopes, Barbara Kirchner, Karina Shimizu
Unraveling the Morphology of [C n C 1 Im]Cl Ionic Liquids Combining Cluster and Aggregation Analyses. The journal of physical chemistry. B (2024)
Luca Mareen Denkler, Meghana Aladahalli Shekar, Tak Shing Jason Ngan, Luke Wylie, Dinar Abdullin, Christoph Bannwarth, Gregor Schnakenburg, Tobias Hett, Frank Hendrik Pilz, Barbara Kirchner, Olav Schiemann, Patrycja J Kielb, Ala Bunescu
A General Iron-Catalyzed Decarboxylative Oxygenation of Aliphatic Carboxylic Acids. Angewandte Chemie (International ed. in English) 63 (32) (2024)
Leonard Dick, Kai Buchmüller, Barbara Kirchner
Coordination Behavior of a Confined Ionic Liquid in Carbon Nanotubes from Molecular Dynamics Simulations. The journal of physical chemistry. B (2024)
Tom Frömbgen, José Nuno Canongia Lopes, Barbara Kirchner, Karina Shimizu
Unraveling the Morphology of [C n C 1 Im]Cl Ionic Liquids Combining Cluster and Aggregation Analyses. The journal of physical chemistry. B 128 (16) (2024)
Tom Frömbgen, Katrin Drysch, Paul Zaby, Jürgen Dölz, Johannes Ingenmey, Barbara Kirchner
Quantum Cluster Equilibrium Theory for Multicomponent Liquids. Journal of chemical theory and computation (2024)
Tom Frömbgen, José Nuno Canongia Lopes, Barbara Kirchner, Karina Shimizu
Unraveling the Morphology of [C n C 1 Im]Cl Ionic Liquids Combining Cluster and Aggregation Analyses. The journal of physical chemistry. B 128 (16) (2024)
Tom Frömbgen, José Nuno Canongia Lopes, Barbara Kirchner, Karina Shimizu
Unraveling the Morphology of [C n C 1 Im]Cl Ionic Liquids Combining Cluster and Aggregation Analyses. The journal of physical chemistry. B 128 (16) (2024)
Luca Mareen Denkler, Meghana Aladahalli Shekar, Tak Shing Jason Ngan, Luke Wylie, Dinar Abdullin, Christoph Bannwarth, Gregor Schnakenburg, Tobias Hett, Frank Hendrik Pilz, Barbara Kirchner, Olav Schiemann, Patrycja J Kielb, Ala Bunescu
A General Iron-Catalyzed Decarboxylative Oxygenation of Aliphatic Carboxylic Acids. Angewandte Chemie (International ed. in English) (2024)
Mihail Barboiu, Barbara Kirchner, Eva Perlt, Alessandro Scarso
H 2 Open - Guest Editorial. ChemistryOpen (2023)
Zeno B G Fickenscher, Peter Lönnecke, Anna Karina Müller, Oldamur Hollóczki, Barbara Kirchner, Evamarie Hey-Hawkins
Synergistic Catalysis in Heterobimetallic Complexes for Homogeneous Carbon Dioxide Hydrogenation. Molecules (Basel, Switzerland) 28 (6) (2023)
Jan Blasius, Katrin Drysch, Frank Hendrik Pilz, Tom Frömbgen, Patrycja J Kielb, Barbara Kirchner
Efficient Prediction of Mole Fraction Related Vibrational Frequency Shifts. The journal of physical chemistry letters (2023)
Wenbo Dong, Vahideh Alizadeh, Jan Blasius, Luke Wylie, Leonard Dick, Zhijie Fan, Barbara Kirchner
Locality in amino-acid based imidazolium ionic liquids. Physical chemistry chemical physics : PCCP (2023)
Zeno B G Fickenscher, Peter Lönnecke, Anna K Müller, Wolfgang Baumann, Barbara Kirchner, Evamarie Hey-Hawkins
Stronger Together! Mechanistic Investigation into Synergistic Effects during Homogeneous Carbon Dioxide Hydrogenation Using a Heterobimetallic Catalyst. Inorganic chemistry (2023)
Kyzgaldak Ramazanova, Anna Karina Müller, Peter Lönnecke, Oldamur Hollóczki, Barbara Kirchner, Evamarie Hey-Hawkins
Ring-Opening Reaction of 1-Phospha-2-Azanorbornenes via P-N Bond Cleavage and Reversibility Studies. Molecules (Basel, Switzerland) 28 (20) (2023)
Zeno B G Fickenscher, Peter Lönnecke, Anna Karina Müller, Oldamur Hollóczki, Barbara Kirchner, Evamarie Hey-Hawkins
Synergistic Catalysis in Heterobimetallic Complexes for Homogeneous Carbon Dioxide Hydrogenation. Molecules (Basel, Switzerland) 28 (6) (2023)
Leonard Dick, Barbara Kirchner
CONAN─Novel Tool to Create and Analyze Liquids in Confined Space. Journal of chemical information and modeling (2023)
Zeno B G Fickenscher, Peter Lönnecke, Anna Karina Müller, Oldamur Hollóczki, Barbara Kirchner, Evamarie Hey-Hawkins
Synergistic Catalysis in Heterobimetallic Complexes for Homogeneous Carbon Dioxide Hydrogenation. Molecules (Basel, Switzerland) 28 (6) (2023)
Barbara Kirchner, Jan Blasius, Vahideh Alizadeh, Andreas Gansäuer, Oldamur Hollóczki
Chemistry Dissolved in Ionic Liquids. A Theoretical Perspective. The journal of physical chemistry. B 126 (4) (2022)
Barbara Kirchner, Johannes Ingenmey, Michael von Domaros, Eva Perlt
The Ionic Product of Water in the Eye of the Quantum Cluster Equilibrium. Molecules (Basel, Switzerland) 27 (4) (2022)
Melanie Sieland, Manuel Schenker, Lars Esser, Barbara Kirchner, Bernd Michael Smarsly
Ionic Liquid-Based Low-Temperature Synthesis of Crystalline Ti(OH)OF·0.66H 2 O: Elucidating the Molecular Reaction Steps by NMR Spectroscopy and Theoretical Studies. ACS omega 7 (6) (2022)
Frederik Philippi, Kateryna Goloviznina, Zheng Gong, Sascha Gehrke, Barbara Kirchner, Agilio A H Padua, Patricia A Hunt
Charge transfer and polarisability in ionic liquids: a case study. Physical chemistry chemical physics : PCCP 24 (5) (2022)
Tom Frömbgen, Jan Blasius, Vahideh Alizadeh, Alain Chaumont, Martin Brehm, Barbara Kirchner
Cluster Analysis in Liquids: A Novel Tool in TRAVIS. Journal of chemical information and modeling 62 (22) (2022)
Shima Taherivardanjani, Jan Blasius, Martin Brehm, Reinhard Dötzer, Barbara Kirchner
Conformer Weighting and Differently Sized Cluster Weighting for Nicotine and Its Phosphorus Derivatives. The journal of physical chemistry. A 126 (40) (2022)
Jan Blasius, Paul Zaby, Oldamur Hollóczki, Barbara Kirchner
Recognition in Chiral Ionic Liquids: The Achiral Cation Makes the Difference! The Journal of organic chemistry (2021)
Sascha Gehrke, Promit Ray, Timo Stettner, Andrea Balducci, Barbara Kirchner
Water in Protic Ionic Liquid Electrolytes: From Solvent Separated Ion Pairs to Water Clusters. ChemSusChem 14 (16) (2021)
Gwydyon Marchelli, Johannes Ingenmey, Oldamur Hollóczki, Alain Chaumont, Barbara Kirchner
Hydrogen Bonding and Vaporization Thermodynamics in Hexafluoroisopropanol-Acetone and -Methanol Mixtures. A Joined Cluster Analysis and Molecular Dynamic Study. Chemphyschem : a European journal of chemical physics and physical chemistry (2021)
Jason B Harper, Barbara Kirchner, Paulina Pavez, Tom Welton
Non-traditional solvent effects in organic reactions. Physical chemistry chemical physics : PCCP 23 (46) (2021)
Vahideh Alizadeh, Barbara Kirchner
Molecular level insight into the solvation of cellulose in deep eutectic solvents. The Journal of chemical physics 155 (8) (2021)
Jan Blasius, Barbara Kirchner
Cluster-Weighting in Bulk Phase Vibrational Circular Dichroism. The journal of physical chemistry. B 124 (33) (2020)
Vahideh Alizadeh, Friedrich Malberg, Agilio A H Padua, Barbara Kirchner
Are There Magic Compositions in Deep Eutectic Solvents? Effects of Composition and Water Content in Choline Chloride/Ethylene Glycol from Ab Initio Molecular Dynamics. The journal of physical chemistry. B 124 (34) (2020)
Gwydyon Marchelli, J Ingenmey, Barbara Kirchner
Activity coefficients of binary methanol alcohol mixtures from cluster weighting. ChemistryOpen 9 (7) (2020)
Lars Esser, Roberto Macchieraldo, Roman Elfgen, Melanie Sieland, Bernd Michael Smarsly, Barbara Kirchner
TiCl4 Dissolved in Ionic Liquid Mixtures from ab Initio Molecular Dynamics Simulations. Molecules (Basel, Switzerland) 26 (1) (2020)
Roberto Macchieraldo, Johannes Ingenmey, Barbara Kirchner
Understanding the Complex Surface Interplay for Extraction: A Molecular Dynamics Study. Chemistry (Weinheim an der Bergstrasse, Germany) 26 (65) (2020)
Vahideh Alizadeh, David Geller, Friedrich Malberg, Pablo B Sánchez, Agilio Padua, Barbara Kirchner
Strong Microheterogeneity in Novel Deep Eutectic Solvents. Chemphyschem : a European journal of chemical physics and physical chemistry 20 (14) (2019)
Oldamur Hollóczki, Roberto Macchieraldo, Barbara Gleede, Siegfried R Waldvogel, Barbara Kirchner
Interfacial Domain Formation Enhances Electrochemical Synthesis. The journal of physical chemistry letters 10 (6) (2019)
Promit Ray, Andrea Balducci, Barbara Kirchner
Correction to "Molecular Dynamics Simulations of Lithium Doped Ionic-Liquid Electrolytes". The journal of physical chemistry. B 123 (12) (2019)
Jan Blasius, Johannes Ingenmey, Eva Perlt, Michael von Domaros, Oldamur Hollóczki, Barbara Kirchner
Predicting Mole-Fraction-Dependent Dissociation for Weak Acids. Angewandte Chemie (International ed. in English) 58 (10) (2019)
Eva Perlt, Sarah A Berger, Anne-Marie Kelterer, Barbara Kirchner
Anharmonicity of Vibrational Modes in Hydrogen Chloride-Water Mixtures. Journal of chemical theory and computation 15 (4) (2019)
Roberto Macchieraldo, Sascha Gehrke, Nagaphani K Batchu, Barbara Kirchner, Koen Binnemans
Tuning Solvent Miscibility: A Fundamental Assessment on the Example of Induced Methanol/ n-Dodecane Phase Separation. The journal of physical chemistry. B 123 (20) (2019)
Ryan Clark, Michael von Domaros, Alastair J S McIntosh, Alenka Luzar, Barbara Kirchner, Tom Welton
Effect of an external electric field on the dynamics and intramolecular structures of ions in an ionic liquid. The Journal of chemical physics 151 (16) (2019)
Manuel A Ortuño, Oldamur Hollóczki, Barbara Kirchner, Nuria López
Selective Electrochemical Nitrogen Reduction Driven by Hydrogen Bond Interactions at Metal-Ionic Liquid Interfaces. The journal of physical chemistry letters 10 (3) (2019)
Johannes Ingenmey, Michael von Domaros, Eva Perlt, Sergey P Verevkin, Barbara Kirchner
Thermodynamics and proton activities of protic ionic liquids with quantum cluster equilibrium theory. The Journal of chemical physics 148 (19) (2018)
Susan Perkin, Barbara Kirchner, Michael D Fayer
Preface: Special Topic on Chemical Physics of Ionic Liquids. The Journal of chemical physics 148 (19) (2018)
Johannes Ingenmey, Michael von Domaros, Barbara Kirchner
Predicting miscibility of binary liquids from small cluster QCE calculations. The Journal of chemical physics 146 (15) (2018)
Eva Perlt, Promit Ray, Andreas Hansen, Friedrich Malberg, Stefan Grimme, Barbara Kirchner
Finding the best density functional approximation to describe interaction energies and structures of ionic liquids in molecular dynamics studies. The Journal of chemical physics 148 (19) (2018)
Promit Ray, Andrea Balducci, Barbara Kirchner
Molecular Dynamics Simulations of Lithium-Doped Ionic-Liquid Electrolytes. The journal of physical chemistry. B 122 (46) (2018)
Johannes Ingenmey, Sascha Gehrke, Barbara Kirchner
How to Harvest Grotthuss Diffusion in Protic Ionic Liquid Electrolyte Systems. ChemSusChem 11 (12) (2018)
Roman Elfgen, Oldamur Hollóczki, Barbara Kirchner
A Molecular Level Understanding of Template Effects in Ionic Liquids. Accounts of chemical research 50 (12) (2017)
Sascha Gehrke, Michael von Domaros, Ryan Clark, Oldamur Hollóczki, Martin Brehm, Tom Welton, Alenka Luzar, Barbara Kirchner
Structure and lifetimes in ionic liquids and their mixtures. Faraday discussions 206 (2017)
Promit Ray, Thomas Vogl, Andrea Balducci, Barbara Kirchner
Structural Investigations on Lithium-Doped Protic and Aprotic Ionic Liquids. The journal of physical chemistry. B 121 (20) (2017)
Andrew Abbott, Matthew Addicoat, Leigh Aldous, Radha Gobinda Bhuin, Natalia Borisenko, José Nuno Canongia Lopes, Ryan Clark, Samuel Coles, Margarida Costa Gomes, Benjamin Cross, Jeffrey Everts, Millicent Firestone, Ramesh L Gardas, Matthieu Gras, Simon Halstead, Christopher Hardacre, John D Holbrey, Toshiyuki Itoh, Vladislav B Ivaništšev, Johan Jacquemin, Philip G Jessop, Robert G Jones, Barbara Kirchner, Sichao Li, Ruth M Lynden-Bell, Douglas Robert MacFarlane, Florian Maier, Markus Mezger, Agílio Pádua, Octavian Dumitru Pavel, Susan Perkin, Simon Purcell, Mark Rutland, John M Slattery, Sefik Suzer, Kazuhisa Tamura, Morgan L Thomas, Shraeddha Tiwari, Seiji Tsuzuki, Betul Uralcan, William Wallace, Masayoshi Watanabe, James F Wishart
Ionic liquids at interfaces: general discussion. Faraday discussions 206 (2017)
Matthew Addicoat, Rob Atkin, José Nuno Canongia Lopes, Margarida Costa Gomes, Millicent A Firestone, Ramesh L Gardas, Simon Halstead, Christopher Hardacre, Laurence J Hardwick, John D Holbrey, Patricia A Hunt, Vladislav B Ivaništšev, Johan Jacquemin, Robert G Jones, Barbara Kirchner, Ruth M Lynden-Bell, Doug MacFarlane, Guy Marlair, Himani Medhi, Markus Mezger, Agílio Pádua, Isabel Pantenburg, Susan Perkin, Joshua E S J Reid, Mark Rutland, Satyen Saha, Karina Shimizu, John M Slattery, Malgorzata Swadźba-Kwaśny, Shraeddha Tiwari, Seiji Tsuzuki, Betul Uralcan, Adriaan van den Bruinhorst, Masayoshi Watanabe, James Wishart
Structure and dynamics of ionic liquids: general discussion. Faraday discussions 206 (2017)
Henry Weber, Barbara Kirchner
Ionic Liquid Induced Band Shift of Titanium Dioxide. ChemSusChem 9 (17) (2016)
Dzmitry S Firaha, Barbara Kirchner
Tuning the Carbon Dioxide Absorption in Amino Acid Ionic Liquids. ChemSusChem 9 (13) (2016)

Barbara Kirchner.css-eqlu8i{font-size:small;padding-left:4px;} (B Kirchner)

Publication Activity (10 Years)

Top Topics

Top Venues

Barbara Kirchner (B Kirchner)