Christoph Gertig

Computer-aided molecular and processes design based on quantum chemistry: current status and future prospects

Christoph Gertig, Kai Leonhard, André Bardow · Current Opinion in Chemical Engineering · 2020 · 69 citations · Full text

Camd Methods, Future Prospects, Engineering +17

Rx-COSMO-CAMD: Computer-Aided Molecular Design of Reaction Solvents Based on Predictive Kinetics from Quantum Chemistry

Christoph Gertig, Leif C. Kröger, Lorenz Fleitmann et al. · Industrial & Engineering Chemistry Research · 2019 · 33 citations

Combinatorial Chemistry, Engineering, Computational Chemistry +17

Reaction Mechanisms and Rate Constants of Auto‐Catalytic Urethane Formation and Cleavage Reactions

Christoph Gertig, Eric Erdkamp, Andreas B. Ernst et al. · ChemistryOpen · 2021 · 20 citations · Full text

Urethane Concentration, Chemical Engineering, Cleavage Reactions +15

Carbon2Polymer – Conceptual Design of a CO₂‐Based Process for the Production of Isocyanates

Teresa Kaiser, Andrea Rathgeb, Christoph Gertig et al. · Chemie Ingenieur Technik · 2018 · 18 citations

Materials Science, Carbon Dioxide, Chemical Engineering +11

Rx‐COSMO‐CAMPD: Enhancing Reactions by Integrated Computer‐Aided Design of Solvents and Processes based on Quantum Chemistry

Christoph Gertig, Lorenz Fleitmann, Johannes Schilling et al. · Chemie Ingenieur Technik · 2020 · 17 citations · Full text

Process Design, Chemical Engineering, Engineering +15