Simon Gückel

A Local Hybrid Functional with Wide Applicability and Good Balance between (De)Localization and Left–Right Correlation

Matthias Haasler, Toni M. Maier, Robin Grotjahn et al. · Journal of Chemical Theory and Computation · 2020 · 102 citations

Iron versus Ruthenium: Clarifying the Electronic Differences between Prototypical Mixed-Valence Organometallic Butadiyndiyl Bridged Molecular Wires

Simon Gückel, Josef B. G. Gluyas, Sarah El-Tarhuni et al. · Organometallics · 2018 · 57 citations · Full text

Materials Science, Inorganic Chemistry, Chemical Engineering +14

Rational Control of Conformational Distributions and Mixed‐Valence Characteristics in Diruthenium Complexes

Josef B. G. Gluyas, Simon Gückel, Martin Kaupp et al. · Chemistry - A European Journal · 2016 · 50 citations · Full text

Electron transfer pathways in mixed‐valence paracyclophane‐bridged bis‐triarylamine radical cations

Martin Kaupp, Simon Gückel, M. Renz et al. · Journal of Computational Chemistry · 2015 · 21 citations

A Spectroscopic and Computationally Minimal Approach to the Analysis of Charge‐Transfer Processes in Conformationally Fluxional Mixed‐Valence and Heterobimetallic Complexes

Simon Gückel, Josef B. G. Gluyas, Samantha G. Eaves et al. · Chemistry - A European Journal · 2019 · 21 citations · Full text