M. Lass, T. Kenter, C. Plessl, and M. Brehm, “Characterizing Microheterogeneity in Liquid Mixtures via Local Density Fluctuations,”10.3390/e26040322__Entropy, vol. 26, no. 4, Art. no. 322, 2024, doi:10.3390/e26040322 .
LibreCat: /record/53474
DOI: 10.3390/e26040322

M.-A. Codescu et al., “Ultrafast Proton Transfer Pathways Mediated by Amphoteric Imidazole,”10.1021/acs.jpclett.3c00595__J. Phys. Chem. Lett., vol. 14, pp. 4775–4785, 2023, doi:10.1021/acs.jpclett.3c00595 .
LibreCat: /record/45013
DOI: 10.1021/acs.jpclett.3c00595

E. Roos, D. Sebastiani, and M. Brehm, “A Force Field for Bio-Polymers in Ionic Liquids (BILFF) – Part 2: Cellulose in [EMIm][OAc] / Water Mixtures,”10.1039/D2CP05636D__Phys. Chem. Chem. Phys., vol. 25 (12), pp. 8755–8766, 2023, doi:10.1039/D2CP05636D .
LibreCat: /record/45012
DOI: 10.1039/D2CP05636D

J. Radicke, E. Roos, D. Sebastiani, M. Brehm, and J. Kressler, “Lactate-Based Ionic Liquids as Chiral Solvents for Cellulose,”10.1002/pol.20220687__J. Polym. Sci., vol. 61 (5), pp. 372–384, 2023, doi:10.1002/pol.20220687 .
LibreCat: /record/45011
DOI: 10.1002/pol.20220687

R. Zhang et al., “Second-harmonic generation in atomically thin &;mml:math xmlns:mml="http://www..org/1998/Math/MathML"&;&;mml:mn&;1&;/mml:mn&;&;mml:mi&;T&;/mml:mi&;&;mml:mtext&;&;/mml:mtext&;&;mml:mi&;Ti&;/mml:mi&;&;mml:msub&;&;mml:mrow&;&;mml:mi&;Se&;/mml:mi&;&;/mml:mrow&;&;mml:mn&;2&;/mml:mn&;&;/mml:msub&;&;/mml:math&; and its possible origin from charge density wave transitions,”10.1103/physrevb.105.085409__Physical Review B, vol. 105, no. 8, Art. no. 085409, 2022, doi:10.1103/physrevb.105.085409 .
LibreCat: /record/33679
DOI: 10.1103/physrevb.105.085409

M. Khazaei et al., “Electronic Structures of Group III–V Element Haeckelite Compounds: A Novel Family of Semiconductors, Dirac Semimetals, and Topological Insulators,”10.1002/adfm.202110930__Advanced Functional Materials, vol. 32, no. 20, Art. no. 2110930, 2022, doi:10.1002/adfm.202110930 .
LibreCat: /record/33682
DOI: 10.1002/adfm.202110930

B. Schulze Lammers et al., “Real-Space Identification of Non-Noble Single Atomic Catalytic Sites within Metal-Coordinated Supramolecular Networks,”10.1021/acsnano.2c04439__ACS Nano, vol. 16, no. 9, pp. 14284–14296, 2022, doi:10.1021/acsnano.2c04439 .
LibreCat: /record/33676
DOI: 10.1021/acsnano.2c04439

A. Henao Aristizabal, Y. Gohar, R. Whilhelm, and T. Kühne, “On the Role of Hydrogen Bond Strength and Charge Transfer of a Diels-Alder Reaction On-Water: Semiempirical and Free Energy Calculations.” American Chemical Society (ACS), 2022.
LibreCat: /record/33678

E. R. Khajehpasha, J. A. Finkler, T. Kühne, and A. Ghasemi, “CEN: Improved charge equilibration via neural network technique,”10.1103/physrevb.105.144106__Physical Review B, vol. 105, no. 14, Art. no. 144106, 2022, doi:10.1103/physrevb.105.144106 .
LibreCat: /record/33680
DOI: 10.1103/physrevb.105.144106

A. Elizabeth et al., “Surface Passivation and Detrimental Heat-Induced Diffusion Effects in RbF-Treated Cu(In,Ga)Se<sub>2</sub> Solar Cell Absorbers,”10.1021/acsami.2c08257__ACS Applied Materials &;amp; Interfaces, vol. 14, no. 29, pp. 34101–34112, 2022, doi:10.1021/acsami.2c08257 .
LibreCat: /record/33686
DOI: 10.1021/acsami.2c08257