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Journal Article 7 Contribution to a conference proceedings 3 Contribution to a book 2

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From Molecules to Heat‐Integrated Processes: Computer‐Aided Design of Solvents and Processes Using Quantum Chemistry

Fleitmann, Lorenz
2023

Chemie - Ingenieur - Technik, 95 (2023) 3, S. 368-380

“...Modellierung von Energiesystemen; IEK-10 Modellierung von Energiesystemen...”

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CAT-COSMO-CAMPD: Integrated in silico design of catalysts and processes based on quantum chemistry

Gertig, Christoph
2021

Computers & chemical engineering, 153 (2021) S. 107438 -

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

Gertig, Christoph
2021

ChemistryOpen, 10 (2021) 5, S. 534 - 544

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

Gertig, Christoph
2020

Chemie - Ingenieur - Technik, 92 (2020) 10, S. 1489 - 1500

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Journal Article

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

Gertig, Christoph
2020

Current opinion in chemical engineering, 27 (2020) S. 89 - 97

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Contribution to a conference proceedings

Integrated In Silico Design of Catalysts and Processes based on Quantum Chemistry

Gertig, Christoph
2020

2020

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Integrated Design of Solvents and Processes based on Reaction Kinetics from Quantum Chemical Prediction Methods

Gertig, Christoph
2019

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

Gertig, Christoph
2019

Industrial & engineering chemistry, 58 (2019) 51, S. 22835 - 22846

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ORC on tour: Integrated design of dynamic ORC processes and working fluids for waste-heat recovery from heavy-duty vehicles

Tillmanns, Dominik
2019

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Carbon2Polymer - Conceptual Design of a CO 2 -Based Process for the Production of Isocyanates

Kaiser, Teresa
2018

Chemie - Ingenieur - Technik, 90 (2018) 10, S. 1497 - 1503

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Publications database 10 Open Access 5

Journal Article 7 Contribution to a conference proceedings 3 Contribution to a book 2

Bardow, André 10 Gertig, Christoph Leonhard, Kai 9 Fleitmann, Lorenz 5 Hemprich, Carl 3 Schilling, Johannes 3 more ... Hense, Janik 2 Scheffczyk, Jan 2 Erdkamp, Eric 1 Ernst, Andreas 1 Jupke, Andreas 1 Kaiser, Teresa 1 Kröger, Leif 1 Kröger, Leif C. 1 Langanke, Jens 1 Petzschmann, Jonas 1 Rathgeb, Andrea 1 Tillmanns, Dominik 1 see all ... less ...

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