Nanoscale chemical reaction exploration with a quantum magnifying glass

KS Csizi, M Steiner, M Reiher - Nature Communications, 2024 - nature.com
Nanoscopic systems exhibit diverse molecular substructures by which they facilitate specific
functions. Theoretical models of them, which aim at describing, understanding, and …

Heron: Visualizing and Controlling Chemical Reaction Explorations and Networks

CH Müller, M Steiner, JP Unsleber… - The Journal of …, 2024 - ACS Publications
Automated and high-throughput quantum chemical investigations into chemical processes
have become feasible in great detail and broad scope. This results in an increase in …

Revisiting the Reviewed: A Meta‐Analysis of Computational Studies on Transition Metal‐Catalyzed Hydrogenation Reactions

S Ahmad, M Bühl - ChemCatChem, 2025 - Wiley Online Library
This review of reviews attempts to systematically analyze the recent advancements in
transition metal‐catalyzed hydrogenation reactions as discussed in previous review articles …

Combining Quantum Chemical Reaction Network Explorations with an Experimental Reaction Robot

P Türtscher - 2024 - research-collection.ethz.ch
Diese Arbeit zielt darauf ab, die Grundlage für chemische Entdeckungen mit wenig
experimentellen Daten zu schaffen, und somit die Notwendigkeit, Experimente mehr oder …