DFT Study of Solvent Effects in Acid-Catalyzed Diels–Alder Cycloadditions of 2,5-Dimethylfuran and Maleic Anhydride

Journal Article · Mon Aug 10 00:00:00 EDT 2015 · Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory

DOI:https://doi.org/10.1021/acs.jpca.5b05060· OSTI ID:1386757

Salavati-fard, Taha ^[1]; Caratzoulas, Stavros ^[1]; Doren, Douglas J. ^[1]

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1. Department of Physics and Astronomy, ‡Catalysis Center for Energy Innovation (CCEI), Department of Chemical and Biomolecular Engineering, and §Department of Chemistry and Biochemistry, University of Delaware, Newark, Delaware 19716, United States

• Research Organization: Energy Frontier Research Centers (EFRC) (United States). Catalysis Center for Energy Innovation (CCEI)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• DOE Contract Number: SC0001004
• OSTI ID: 1386757
• Journal Information: Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory, Vol. 119, Issue 38; Related Information: CCEI partners with the University of Delaware (lead); Brookhaven National Laboratory; California Institute of Technology; Columbia University; University of Delaware; Lehigh University; University of Massachusetts, Amherst; Massachusetts Institute of Technology; University of Minnesota; Pacific Northwest National Laboratory; University of Pennsylvania; Princeton University; Rutgers University; ISSN 1089-5639
• Publisher: American Chemical Society
• Country of Publication: United States
• Language: English

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synthesis (scalable processing)