© Barbara Frommann/Uni Bonn
Dr. rer. nat. Werner Reckien
Affiliations
- Clausius-Institut für Physikalische und Theoretische Chemie
- Faculty of Mathematics and Natural Sciences
Research topics
- Hydrogen Bonds
- Vibrational Spectroscopy
- Supramolecular Chemistry
Quantum chemical investigation of hydrogen bonds and supramolecular complexes, quantum chemical treatment of vibrational spectroscopy (IR, Raman, VCD), quantum chemical investigation of the interaction of molecules on surfaces and the interaction between adsorbate and surface.
Selected publications
Reckien W, Janetzko F, Peintinger M, Bredow T (2012) Implementation of empirical dispersion correction in density-functional theory for periodic systems. J. Comput. Chem. 33:2023-2031.
Reckien W, Spickermann C, Eggers M and Kirchner B (2008) Theoretical energetic and vibrational analysis of amide-templated pseudorotaxanes. Chem. Phys. 343:186-199.
Kirchner B, Blasius J, Esser L, Reckien W (2021) Predicting Vibrational Spectroscopy for Flexible Molecules and Molecules with Non-Idle Environments. Adv. Theory Simul. 4:2000223.
© Barbara Frommann/Uni Bonn
Dr. rer. nat. Werner Reckien