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The Journal of Chemical Physics|September 14, 2013
Electronic density response to molecular geometric changes from explicit electronic susceptibility calculationsArvid Conrad Ihrig, Arne Scherrer, Daniel SebastianiThe Journal of Chemical Physics|December 14, 2011
Specific quantum mechanical/molecular mechanical capping-potentials for biomolecular functional groupsArvid Conrad Ihrig, Christoph Schiffmann, Daniel SebastianiChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|September 29, 2021
On the Structure of Sulfur/1,3-Diisopropenylbenzene Co-Polymer Cathodes for Li-S Batteries: Insights from Density-Functional Theory CalculationsRana Kiani, Daniel Sebastiani, Pouya Partovi-AzarPhysical Chemistry Chemical Physics : PCCP|June 29, 2011
Ab initio molecular dynamics simulations of a binary system of ionic liquidsMarc Brüssel, Martin Brehm, Thomas Voigt, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|March 30, 2022
Raman Optical Activity of N-Acetyl-L-Cysteine in Water and in Methanol: The "Clusters-in-a-Liquid" Model and ab Initio Molecular Dynamics SimulationsYanqing Yang, Joseph Cheramy, Martin Brehm, et al.Pharmacological Research|June 29, 2017
Pregnenolone does not interfere with the effects of cannabinoids on synaptic transmission in the cerebellum and the nucleus accumbensAnna Krohmer, Martin Brehm, Volker Auwärter, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|December 31, 2013
How can a carbene be active in an ionic liquid?Martin Thomas, Martin Brehm, Oldamur Hollóczki, et al.Journal of Chemical Theory and Computation|November 25, 2015
Singular Value Decomposition for Analyzing Temperature- and Pressure-Dependent Radial Distribution Functions: Decomposition into Grund RDFs (GRDFs)Philipp J di Dio, Martin Brehm, Barbara KirchnerThe Journal of Physical Chemistry. B|September 3, 2020
Characterization of Aqueous Lower-Polarity Solvation Shells Around Amphiphilic 2,2,6,6-Tetramethylpiperidine-1-oxyl Radicals in WaterJohannes Hunold, Jana Eisermann, Martin Brehm, et al.Entropy (Basel, Switzerland)|April 26, 2024
Characterizing Microheterogeneity in Liquid Mixtures via Local Density FluctuationsMichael Lass, Tobias Kenter, Christian Plessl, et al.Pageof 15