Rx-COSMO-CAMD: Computer-Aided Molecular Design of Reaction Solvents Based on Predictive Kinetics from Quantum Chemistry-Reference-Cited by-同舟云学术

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

Published:2019-11-05 Issue:51 Volume:58 Page:22835-22846
ISSN:0888-5885
Container-title:Industrial & Engineering Chemistry Research
language:en
Short-container-title:Ind. Eng. Chem. Res.

Author:

Gertig Christoph¹^ORCID,Kröger Leif¹^ORCID,Fleitmann Lorenz¹,Scheffczyk Jan¹,Bardow André¹²^ORCID,Leonhard Kai¹^ORCID

Affiliation:

1. Institute of Technical Thermodynamics, RWTH Aachen University, Schinkelstraße 8, 52062 Aachen, Germany

2. Institute of Energy and Climate Research—Energy Systems Engineering (IEK-10), Forschungszentrum Jülich GmbH, Wilhelm-Johnen-Straße, 52425 Jülich, Germany

Funder

Bundesministerium f?r Bildung und Forschung

Deutsche Forschungsgemeinschaft

Publisher

American Chemical Society (ACS)

Subject

Industrial and Manufacturing Engineering,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.iecr.9b03232

Reference88 articles.

1. Molecules Matter

2. Key Green Engineering Research Areas for Sustainable Manufacturing: A Perspective from Pharmaceutical and Fine Chemicals Manufacturers

3. Virtual Exploration of the Small-Molecule Chemical Universe below 160 Daltons

4. Computer-aided molecular design: An introduction and review of tools, applications, and solution techniques

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