High-level quantum chemistry: From theory to applications

Status	Finished
Effective start/end date	27/12/17 → 28/02/22

Access Project

Mutual induced fit transition structure stabilization of corannulene's bowl-to-bowl inversion in a perylene bisimide cyclophane
Weh, M., Kroeger, A. A., Anhalt, O., Karton, A. & Würthner, F., 14 Jan 2024, In: Chemical Science. 15, 2, p. 609-617 9 p.
Research output: Contribution to journal › Article › peer-review

Open Access
2 Citations (Scopus)
Post-CCSD(T) Thermochemistry of Chlorine Fluorides as a Challenging Test Case for Evaluating Density Functional Theory and Composite Ab Initio Methods
Karton, A., Haasler, M. & Kaupp, M., 2024, In: ChemPhysChem. 12 p.
Research output: Contribution to journal › Article › peer-review
π-π Catalysis Made Asymmetric—Enantiomerization Catalysis Mediated by the Chiral π-System of a Perylene Bisimide Cyclophane
Weh, M., Kroeger, A. A., Shoyama, K., Grüne, M., Karton, A. & Würthner, F., 2 May 2023, In: Angewandte Chemie - International Edition. 62, 19, 10 p., e202301301.
Research output: Contribution to journal › Article › peer-review

Open Access
11 Citations (Scopus)