2024
Drosou, M.; Bhattacharjee, S.; Pantazis, D. A. Combined Multireference–Multiscale Approach to the Description of Photosynthetic Reaction Centers. Journal of Chemical Theory and Computation 2024, 20, 7210–7226.
Bhattacharjee, S.; Arra, S.; Daidone, I.; Pantazis, D. A. Excitation Landscape of the CP43 Photosynthetic Antenna Complex from Multiscale Simulations. Chemical Science 2024, 15, 7269–7284.
Ansari, M.; Bhattacharjee, S.; Pantazis, D. A. Correlating Structure with Spectroscopy in Ascorbate Peroxidase Compound II. Journal of the American Chemical Society 2024, 146, 9640–9656.
Jütten, S.; Bredow, T., Effect of Surface Free Energies and Particle Diameter on the Ti3O5 β→λ Phase Transition Temperature: A Theoretical Study, J. Phys. Chem. C 2024, 128, 32, 13402–13409, https://doi.org/10.1021/acs.jpcc.4c03730
T. Frömbgen, K. Drysch, P. Zaby, J. Dölz, J. Ingenmey, B. Kirchner, Quantum Cluster Equilibrium Theory for Multicomponent Liquids, J. Chem. Theory Comput. (2024), tba. 10.1021/acs.jctc.3c00799
A. Jain, V. Vinayakumar, A. Olean-Oliveira, C. Marcks, M. Chatwani, A. K. Mechler, C. Andronescu, D. Segets, ChemCatChem 2024, e202301461. https://doi.org/10.1002/cctc.202301461
Eitner, A., Al-Kamal, A. K., Ali, M. Y., Sheikh, M.-A., Schulz, C., & Wiggers, H. (2024). Spray-flame synthesis of Nb-doped TiO2 nanoparticles and their electrochemical performance in sodium-ion batteries. Applications in Energy and Combustion Science, 17, 100252. doi:https://doi.org/10.1016/j.jaecs.2024.100252
Al-Kamal, A. K., Hammad, M., Yusuf Ali, M., Angel, S., Segets, D., Schulz, C., & Wiggers, H. (2024). Titania/graphene nanocomposites from scalable gas-phase synthesis for high-capacity and high-stability sodium-ion battery anodes. Nanotechnology. Retrieved from http://iopscience.iop.org/article/10.1088/1361-6528/ad2ac7
