Data-Driven Ionic Liquid Design for CO2 Capture: Molecular Structure 
Optimization and DFT Verification

Zhang, Xiang; Wang, Jingwen; Song, Zhen; Zhou, Teng

doi:10.1021/acs.iecr.1c01384

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Data-Driven Ionic Liquid Design for CO2 Capture: Molecular Structure Optimization and DFT Verification

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Zhang, Xiang
Process Systems Engineering, Max Planck Institute for Dynamics of Complex Technical Systems, Max Planck Society;

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Zhou, Teng
Process Systems Engineering, Max Planck Institute for Dynamics of Complex Technical Systems, Max Planck Society;
Otto-von-Guericke-Universität Magdeburg, External Organizations;

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Zhang, X., Wang, J., Song, Z., & Zhou, T. (2021). Data-Driven Ionic Liquid Design for CO2 Capture: Molecular Structure Optimization and DFT Verification. Industrial & Engineering Chemistry Research, 60(27), 9992-10000. doi:10.1021/acs.iecr.1c01384.

Cite as: https://hdl.handle.net/21.11116/0000-0009-1516-7

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