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Molecular Simulation Volume 43, 2017 - Issue 10-11: Energy Applications
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Energy Applications

Screening the activity of Lewis pairs for hydrogenation of CO2

Jingyun YeDepartment of Chemical & Petroleum Engineering, University of Pittsburgh, Pittsburgh, PA, USA
,
Benjamin Y. YehDepartment of Chemical & Petroleum Engineering, University of Pittsburgh, Pittsburgh, PA, USA
,
Ronald A. ReynoldsDepartment of Chemical & Petroleum Engineering, University of Pittsburgh, Pittsburgh, PA, USA
&
J. Karl JohnsonDepartment of Chemical & Petroleum Engineering, University of Pittsburgh, Pittsburgh, PA, USA;Pittsburgh Quantum Institute, Pittsburgh, PA, USACorrespondence[email protected]
Pages 821-827 | Received 21 Nov 2016, Accepted 06 Feb 2017, Published online: 09 Mar 2017

Citations (11)

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Tingting Zhang, Yunsong Yu & Zaoxiao Zhang. (2018) Effects of non-aqueous solvents on CO2 absorption in monoethanolamine: Ab initio calculations. Molecular Simulation 44:10, pages 815-825.
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Articles from other publishers (10)

Yin Zhang, Pui Ching Lan, Kyle Martin & Shengqian Ma. (2022) Porous frustrated Lewis pair catalysts: Advances and perspective. Chem Catalysis 2:3, pages 439-457.
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Payal Tyagi, Mohit Saroha & Rajender Singh Malik. 2021. Metal−Organic Frameworks for Carbon Capture and Energy. Metal−Organic Frameworks for Carbon Capture and Energy 315 354 .
Andrew R. Jupp. 2021. Frustrated Lewis Pairs. Frustrated Lewis Pairs 237 281 .
Mojgan Heshmat. (2020) Alternative Pathway of CO 2 Hydrogenation by Lewis-Pair-Functionalized UiO-66 MOF Revealed by Metadynamics Simulations . The Journal of Physical Chemistry C 124:20, pages 10951-10960.
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Serhii Shyshkanov, Tu N. Nguyen, Arunraj Chidambaram, Kyriakos C. Stylianou & Paul J. Dyson. (2019) Frustrated Lewis pair-mediated fixation of CO 2 within a metal–organic framework . Chemical Communications 55:73, pages 10964-10967.
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Brena L. Thompson & Zachariah M. Heiden. (2019) Investigation of main group promoted carbon dioxide reduction. Tetrahedron 75:14, pages 2099-2105.
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Lin Li, Sen Zhang, Jonathan P. Ruffley & J. Karl Johnson. (2018) Energy Efficient Formaldehyde Synthesis by Direct Hydrogenation of Carbon Monoxide in Functionalized Metal–Organic Frameworks. ACS Sustainable Chemistry & Engineering 7:2, pages 2508-2515.
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Abass A. Olajire. (2018) Synthesis chemistry of metal-organic frameworks for CO 2 capture and conversion for sustainable energy future. Renewable and Sustainable Energy Reviews 92, pages 570-607.
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Jingyun Ye, Laura Gagliardi, Christopher J. Cramer & Donald G. Truhlar. (2018) Computational screening of MOF-supported transition metal catalysts for activity and selectivity in ethylene dimerization. Journal of Catalysis 360, pages 160-167.
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Jingyun Ye, Lin Li & J. Karl Johnson. (2018) The effect of topology in Lewis pair functionalized metal organic frameworks on CO 2 adsorption and hydrogenation . Catalysis Science & Technology 8:18, pages 4609-4617.
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