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Allen C, Ghebreab R, Doherty B, et al. Examining Ionic Liquid Effects on Mononuclear Rearrangement of Heterocycles Using QM/MM Simulations. J Phys Chem B. 2016;120(41):10786-10796doi: 10.1021/acs.jpcb.6b07205.
Allen, C., Ghebreab, R., Doherty, B., Li, B., & Acevedo, O. (2016). Examining Ionic Liquid Effects on Mononuclear Rearrangement of Heterocycles Using QM/MM Simulations. The journal of physical chemistry. B, 120(41), 10786-10796. https://doi.org/10.1021/acs.jpcb.6b07205
Allen, Caley, et al. "Examining Ionic Liquid Effects on Mononuclear Rearrangement of Heterocycles Using QM/MM Simulations." The journal of physical chemistry. B vol. 120,41 (2016): 10786-10796. doi: https://doi.org/10.1021/acs.jpcb.6b07205
Allen C, Ghebreab R, Doherty B, Li B, Acevedo O. Examining Ionic Liquid Effects on Mononuclear Rearrangement of Heterocycles Using QM/MM Simulations. J Phys Chem B. 2016 Oct 20;120(41):10786-10796. doi: 10.1021/acs.jpcb.6b07205. Epub 2016 Oct 10. PMID: 27690447.
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J Phys Chem B. 2016 Oct 20;120(41):10786-10796. doi: 10.1021/acs.jpcb.6b07205. Epub 2016 Oct 10.

Examining Ionic Liquid Effects on Mononuclear Rearrangement of Heterocycles Using QM/MM Simulations.

The journal of physical chemistry. B

Caley Allen, Robel Ghebreab, Brian Doherty, Bin Li, Orlando Acevedo

Affiliations

  1. Department of Chemistry, University of Miami , Coral Gables, Florida 33146, United States.

PMID: 27690447 DOI: 10.1021/acs.jpcb.6b07205

Abstract

The mononuclear rearrangement of heterocycles (MRH) reaction of the Z-phenylhydrazone of 3-benzoyl-5-phenyl-1,2,4-oxadiazole into 4-benzoylamino-2,5-diphenyl-1,2,3-triazole derives a sizable rate enhancement in the 1-butyl-3-methylimidazolium tetrafluoroborate [BMIM][BF

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