Coupled Cluster Theory, a precise electronic structure method, is usually limited to small systems. Researchers have developed an automated neural network approach to extend its accuracy to larger systems like liquid water, making it efficient and versatile for various complex systems.
Angew. Chem. Int. Ed.: RESOLV members Prof. E. Sanchez-Garcia, Prof. W. Sander and Prof. K. Morgenstern demonstrate a new functional molecular system with a combination of several advanced features, including a self-assembled oligomer, surface chirality, chirality switching, and finally their motion on the surface.
Angew. Chem. Int. Ed.: RESOLV spokeperson Prof. M. Havenith's study addresses the challenge of distinguishing between hydrophilic and hydrophobic contributions to hydration free energies—an essential step toward a deeper understanding of biological processes. By applying THz calorimetry, the team linked specific THz spectral signatures to group-specific solvation entropy and enthalpy. This…
Hydrogen is considered as the fuel of the future. Hydrogenases are enzymes that optimize the reversible oxidation of molecular hydrogen and therefore serve as blueprints for green and cost-effective hydrogen production.
Carbon nanotubes glow brighter in the presence of neurotransmitters. This facilitates the easy and accurate measurement of signals between nerve cells.
Nature: RESOLV PI Prof. B. List reports the development of broadly applicable confined organocatalysts for the highly enantioselective cyanosilylation of aromatic and aliphatic ketones.
Angew. Chem. Int. Ed.: Two RESOLV members Prof. L. Gooßen and Prof. S. Waldvogel's study introduces the effective electrochemical synthesis of concentrated peroxodicarbonate solutions and their potential use as platform oxidizers was clearly demonstrated in transformations including sulfoxidation, N-oxidation, and epoxidation.
