Publications by authors named "Martin Brehm"

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Overrange dilution for improvement of hepatitis B core related antigen as a biomarker: protocol validation and examples for application.
Maria Pfefferkorn, Jessica Brehm, Martin Brehm, Fanny Honshoven, Danilo Deichsel

Virology· August 2025

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Choline Acetate/Water Mixtures: Physicochemical Properties and Structural Organization.
Emanuela Mangiacapre, Zina Barhoumi, Martin Brehm, Franca Castiglione, Valerio Di Lisio

Molecules· August 2025

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Characterizing Microheterogeneity in Liquid Mixtures via Local Density Fluctuations.
Michael Lass, Tobias Kenter, Christian Plessl, Martin Brehm

Entropy (Basel)· April 2024

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BILFF: All-Atom Force Field for Modeling Triazolium- and Benzoate-Based Ionic Liquids.
Eliane Roos, Daniel Sebastiani, Martin Brehm

Molecules· November 2023

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Ultrafast Proton Transfer Pathways Mediated by Amphoteric Imidazole.
Marius-Andrei Codescu, Thomas Kunze, Moritz Weiß, Martin Brehm, Oleg Kornilov

J Phys Chem Lett· May 2023

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A force field for bio-polymers in ionic liquids (BILFF) - part 2: cellulose in [EMIm][OAc]/water mixtures.
Eliane Roos, Daniel Sebastiani, Martin Brehm

Phys Chem Chem Phys· March 2023

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Transferable Deep Learning Potential Reveals Intermediate-Range Ordering Effects in LiF-NaF-ZrF Molten Salt.
Rajni Chahal, Santanu Roy, Martin Brehm, Shubhojit Banerjee, Vyacheslav Bryantsev

JACS Au· December 2022

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Cluster Analysis in Liquids: A Novel Tool in TRAVIS.
Tom Frömbgen, Jan Blasius, Vahideh Alizadeh, Alain Chaumont, Martin Brehm

J Chem Inf Model· November 2022

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Conformer Weighting and Differently Sized Cluster Weighting for Nicotine and Its Phosphorus Derivatives.
Shima Taherivardanjani, Jan Blasius, Martin Brehm, Reinhard Dötzer, Barbara Kirchner

J Phys Chem A· October 2022

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Raman Optical Activity of N-Acetyl-L-Cysteine in Water and in Methanol: The "Clusters-in-a-Liquid" Model and ab Initio Molecular Dynamics Simulations.
Yanqing Yang, Joseph Cheramy, Martin Brehm, Yunjie Xu

Chemphyschem· June 2022

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Characterization of the Diagnostic Performance of a Novel COVID-19 PETIA in Comparison to Four Routine N-, S- and RBD-Antigen Based Immunoassays.
Alexander Spaeth, Thomas Masetto, Jessica Brehm, Leoni Wey, Christian Kochem, Martin Brehm

Diagnostics (Basel)· July 2021

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Unraveling Local Structure of Molten Salts via X-ray Scattering, Raman Spectroscopy, and Molecular Dynamics.
Santanu Roy, Martin Brehm, Shobha Sharma, Fei Wu, Dmitry S Maltsev

J Phys Chem B· June 2021

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Liquid structure and dynamics in the choline acetate:urea 1:2 deep eutectic solvent.
Alessandro Triolo, Maria Enrica Di Pietro, Andrea Mele, Fabrizio Lo Celso, Martin Brehm

J Chem Phys· June 2021

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Switching between Proton Vacancy and Excess Proton Transfer Pathways in the Reaction between 7-Hydroxyquinoline and Formate.
Marius-Andrei Codescu, Moritz Weiß, Martin Brehm, Oleg Kornilov, Daniel Sebastiani

J Phys Chem A· March 2021

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Optimized Atomic Partial Charges and Radii Defined by Radical Voronoi Tessellation of Bulk Phase Simulations.
Martin Brehm, Martin Thomas

Molecules· March 2021

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A force field for bio-polymers in ionic liquids (BILFF) - part 1: [EMIm][OAc]/water mixtures.
Eliane Roos, Martin Brehm

Phys Chem Chem Phys· January 2021

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Efficient EOM-CC-based Protocol for the Calculation of Electron Affinity of Solvated Nucleobases: Uracil as a Case Study.
Madhubani Mukherjee, Divya Tripathi, Martin Brehm, Christoph Riplinger, Achintya Kumar Dutta

J Chem Theory Comput· January 2021

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Exploring Free Energy Profiles of Enantioselective Organocatalytic Aldol Reactions under Full Solvent Influence.
Moritz Weiß, Martin Brehm

Molecules· December 2020

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Characterization of Aqueous Lower-Polarity Solvation Shells Around Amphiphilic 2,2,6,6-Tetramethylpiperidine-1-oxyl Radicals in Water.
Johannes Hunold, Jana Eisermann, Martin Brehm, Dariush Hinderberger

J Phys Chem B· October 2020

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Dissolving Cellulose in 1,2,3-Triazolium- and Imidazolium-Based Ionic Liquids with Aromatic Anions.
Martin Brehm, Julian Radicke, Martin Pulst, Farzaneh Shaabani, Daniel Sebastiani

Molecules· August 2020

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Exploring non-equilibrium molecular dynamics of mobile protons in the solid acid CsHPO at the micrometer and microsecond scale.
Christian Dreßler, Gabriel Kabbe, Martin Brehm, Daniel Sebastiani

J Chem Phys· April 2020

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Dynamical matrix propagator scheme for large-scale proton dynamics simulations.
Christian Dreßler, Gabriel Kabbe, Martin Brehm, Daniel Sebastiani

J Chem Phys· March 2020

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From flat to tilted: gradual interfaces in organic thin film growth.
Laura Katharina Scarbath-Evers, René Hammer, Dorothea Golze, Martin Brehm, Daniel Sebastiani

Nanoscale· February 2020

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Computing Bulk Phase Resonance Raman Spectra from ab Initio Molecular Dynamics and Real-Time TDDFT.
Martin Brehm, Martin Thomas

J Chem Theory Comput· July 2019

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Triazolium-Based Ionic Liquids: A Novel Class of Cellulose Solvents.
Martin Brehm, Martin Pulst, Jörg Kressler, Daniel Sebastiani

J Phys Chem B· May 2019

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