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B‐DNA Structure and Stability: The Role of Nucleotide Composition and Order2022 ChemistryOpen article Biochemistry, Genetics and Molecular Biology DNA and Nucleic Acid Chemistry Open access
Celine Nieuwland, Trevor A. Hamlin, Célia Fonseca Guerra, Giampaolo Barone, F. Matthias Bickelhaupt
24citations -
Predicting solvation free energies for neutral molecules in any solvent with openCOSMO-RS2024 arXiv (Cornell University) preprint Physics and Astronomy Advanced Chemical Physics Studies Open access
Simon Müller, Thomas Nevolianis, Miquel García‐Ratés, Christoph Riplinger, Kai O. Leonhard, Irina V. Smirnova
0citations -
Predicting solvation free energies for neutral molecules in any solvent with openCOSMO-RS2024 Fluid Phase Equilibria article Physics and Astronomy Advanced Chemical Physics Studies Open access
Simon Müller, Thomas Nevolianis, Miquel García‐Ratés, Christoph Riplinger, Kai O. Leonhard, Irina V. Smirnova
41citations -
Enabling high-performance Zn–I2 batteries with a solvation-regulating, ion-selective, and flexible sulfonic acid-water reducer gel electrolyte2026 RWTH Publications (RWTH Aachen) article Engineering Advanced battery technologies research Open access
Long Huang, Zhiyi Huang, Yi Xiong, Xiaoqiang Cai, Ya-Xiong Wang, Yan Gao, +5 more
0citations -
Impact of Phosphorylation on the Physiological Form of Human alpha-Synuclein in Aqueous Solution2024 Journal of Chemical Information and Modeling article Medicine Parkinson's Disease Mechanisms and Treatments Open access
Emile De Bruyn, Anton Emil Dorn, Giulia Rossetti, Claudio O. Fernández, Tiago F. Outeiro, Jörg Bernhard Schulz, +1 more
12citations -
CREST—A program for the exploration of low-energy molecular chemical space2024 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access cited by 2 patents
Philipp Pracht, Stefan Grimme, Christoph Bannwarth, Fabian Bohle, Sebastian Ehlert, Gereon Feldmann, +7 more
573citations -
Electrolyte Chemistry Development for Sodium‐Based Batteries: A Blueprint from Lithium or a Step Toward Originality?2025 Angewandte Chemie International Edition article Engineering Advanced Battery Materials and Technologies Open access
Ziyu Song, Zhirong Xing, Jiaxun Yang, Jiayi Chen, Weican Hu, Pu Li, +7 more
24citations -
Variational functional in local density approximation for coulombic electrolyte correlations in the electric double layer2025 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access
Nils Bruch, Tobias Binninger, Jun Zh. Huang, Michael Hermann Eikerling
8citations -
Ultrafast time-resolved X-ray absorption spectroscopy at FemtoMAX beamline2026 Journal of Synchrotron Radiation article Physics and Astronomy X-ray Spectroscopy and Fluorescence Analysis Open access
Van‐Thai Pham, Katharina Kubiček, Byungnam Ahn, John Carl Ekström, David Kroon, Zhangatay Nurekeyev, +11 more
0citations -
Phase Relations between Temperature-Induced Phase Transition, Hysteresis and Bending Strain in an Elastically Flexible Molecular Crystal2026 Crystal Growth & Design article Chemistry Crystallography and molecular interactions Open access
Somnath Dey, Hans Gildenast, S. Nandi, Branislav Viliam Hakala, Hend Shahed, Andrzej Grzechnik, +8 more
0citations -
Memprot.GPCR-ModSim: modelling and simulation of membrane proteins in a nutshell2024 Bioinformatics article Biochemistry, Genetics and Molecular Biology Receptor Mechanisms and Signaling Open access
Remco L. van den Broek, Xabier Bello, Rebecca V Küpper, Gerard J. P. van Westen, Willem Jespers, Hugo Gutiérrez‐de‐Terán
5citations