UniSysCat Publications

  • Protonated Imine‐Linked Covalent Organic Frameworks for Photocatalytic Hydrogen Evolution, J. Yang, A. Acharjya, M. Ye, J. Rabeah, S. Li, Z. Kochovski, S. Youk, J. Roeser, J. Grüneberg, C. Penschke, M. Schwarze, T. Wang, Y. Lu, R. Krol, M. Oschatz, R. Schomäcker, P. Saalfrank, A. Thomas, Angewandte Chemie International Edition 2021, 10.1002/anie.202104870
  • On the Borate-Catalyzed Electrochemical Reduction of Phosphine Oxide: A Computational Study, R. Edler von Zander, P. Saalfrank, The Journal of Physical Chemistry A 2020, 124, 10239–10245, 10.1021/acs.jpca.0c07805
  • Surface Hopping Dynamics for Azobenzene Photoisomerization: Effects of Packing Density on Surfaces, Fluorination, and Excitation Wavelength, C. Rietze, E. Titov, G. Granucci, P. Saalfrank, The Journal of Physical Chemistry C 2020, 10.1021/acs.jpcc.0c08052
  • Two-Dimensional Nonlinear Optical Switching Materials: Molecular Engineering toward High Nonlinear Optical Contrasts, M. Hänsel, C. Barta, C. Rietze, M. Utecht, K. Rück-Braun, P. Saalfrank, P. Tegeder, The Journal of Physical Chemistry C 2018, 122, 25555–25564, 10.1021/acs.jpcc.8b08212
  • Vibrationally Broadened Optical Spectra of Selected Radicals and Cations Derived from Adamantane: A Time-Dependent Correlation Function Approach, T. Xiong, P. Saalfrank, The Journal of Physical Chemistry A 2019, 123, 8871–8880, 10.1021/acs.jpca.9b03305
  • Theoretical Surface Science Beyond Gradient-Corrected Density Functional Theory: Water at α-Al2O3(0001) as a Case Study, S. Heiden, D. Usvyat, P. Saalfrank, The Journal of Physical Chemistry C 2019, 123, 6675–6684, 10.1021/acs.jpcc.9b00407