Martin Kaupp
- TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations
2020/05/13 by Sree Ganesh Balasubramani, Guo P. Chen, Sonia Coriani +32 · 33 citations
Chemical Engineering · Physics and Astronomy · #Advanced Chemical Physics Studies #Catalysis and Oxidation Reactions #Quantum, superfluid, helium dynamics
- DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science
2022/01/01 by Andrew M. Teale, Trygve Helgaker, Andreas Savin +67 · 13 citations
Chemical Engineering · Materials Science · Physics and Astronomy · #Catalysis and Oxidation Reactions #Machine Learning in Materials Science #Advanced Chemical Physics Studies
- Platinum‐Catalysed Hydrofluorination of Alkynes at Room Temperature Promoted by a Fluoride Shuttle
2025/07/23 by Ouchan He, Froze Jameel, Hannah Flammang +3 · 1 voice · 2 citations
Pharmacology, Toxicology and Pharmaceutics · Chemistry · #Fluorine in Organic Chemistry #Catalytic C–H Functionalization Methods #Cyclopropane Reaction Mechanisms