Insights into the Mechanism of H2O2-based Olefin Epoxidation Catalyzed by the Lacunary [γ-(SiO4) W10O32H4]4-and di-V-substituted-γ-Keggin [γ-1,2-H2SiV2W10O40]4- Polyoxometalates. A Computational Study

Rajeev Prabhakar, Keiji Morokuma, Yurii V. Geletii, Craig L. Hill, Djamaladdin G. Musaev

Research output: Chapter in Book/Report/Conference proceedingChapter

1 Citation (Scopus)
Original languageEnglish
Title of host publicationComputational Modeling for Homogeneous and Enzymatic Catalysis: A Knowledge-Base for Designing Efficient Catalysts
PublisherWiley-VCH Verlag GmbH & Co. KGaA
Pages215-230
Number of pages16
ISBN (Print)9783527318438
DOIs
StatePublished - Apr 1 2008

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Epoxidation
Alkenes
Hydrogen peroxide
Hydrogen Peroxide
Olefins

Keywords

  • Computational modeling
  • Di-V-substituted-γ-Keggin [γ-1,2-H2SiV2W10O40]4- polyoxometalates
  • Enzymatic catalysis
  • H2O2-based olefin epoxidation
  • Homogenous catalysis
  • Hydrogen peroxide
  • Lacunary [γ-(SiO4) W10O32H4]4-
  • Polyoxometalate-catalyzed ethylene epoxidation

ASJC Scopus subject areas

  • Chemistry(all)
  • Computer Science(all)
  • Biochemistry, Genetics and Molecular Biology(all)

Cite this

Prabhakar, R., Morokuma, K., Geletii, Y. V., Hill, C. L., & Musaev, D. G. (2008). Insights into the Mechanism of H2O2-based Olefin Epoxidation Catalyzed by the Lacunary [γ-(SiO4) W10O32H4]4-and di-V-substituted-γ-Keggin [γ-1,2-H2SiV2W10O40]4- Polyoxometalates. A Computational Study. In Computational Modeling for Homogeneous and Enzymatic Catalysis: A Knowledge-Base for Designing Efficient Catalysts (pp. 215-230). Wiley-VCH Verlag GmbH & Co. KGaA. https://doi.org/10.1002/9783527621965.ch9

Insights into the Mechanism of H2O2-based Olefin Epoxidation Catalyzed by the Lacunary [γ-(SiO4) W10O32H4]4-and di-V-substituted-γ-Keggin [γ-1,2-H2SiV2W10O40]4- Polyoxometalates. A Computational Study. / Prabhakar, Rajeev; Morokuma, Keiji; Geletii, Yurii V.; Hill, Craig L.; Musaev, Djamaladdin G.

Computational Modeling for Homogeneous and Enzymatic Catalysis: A Knowledge-Base for Designing Efficient Catalysts. Wiley-VCH Verlag GmbH & Co. KGaA, 2008. p. 215-230.

Research output: Chapter in Book/Report/Conference proceedingChapter

Prabhakar, R, Morokuma, K, Geletii, YV, Hill, CL & Musaev, DG 2008, Insights into the Mechanism of H2O2-based Olefin Epoxidation Catalyzed by the Lacunary [γ-(SiO4) W10O32H4]4-and di-V-substituted-γ-Keggin [γ-1,2-H2SiV2W10O40]4- Polyoxometalates. A Computational Study. in Computational Modeling for Homogeneous and Enzymatic Catalysis: A Knowledge-Base for Designing Efficient Catalysts. Wiley-VCH Verlag GmbH & Co. KGaA, pp. 215-230. https://doi.org/10.1002/9783527621965.ch9
Prabhakar R, Morokuma K, Geletii YV, Hill CL, Musaev DG. Insights into the Mechanism of H2O2-based Olefin Epoxidation Catalyzed by the Lacunary [γ-(SiO4) W10O32H4]4-and di-V-substituted-γ-Keggin [γ-1,2-H2SiV2W10O40]4- Polyoxometalates. A Computational Study. In Computational Modeling for Homogeneous and Enzymatic Catalysis: A Knowledge-Base for Designing Efficient Catalysts. Wiley-VCH Verlag GmbH & Co. KGaA. 2008. p. 215-230 https://doi.org/10.1002/9783527621965.ch9
Prabhakar, Rajeev ; Morokuma, Keiji ; Geletii, Yurii V. ; Hill, Craig L. ; Musaev, Djamaladdin G. / Insights into the Mechanism of H2O2-based Olefin Epoxidation Catalyzed by the Lacunary [γ-(SiO4) W10O32H4]4-and di-V-substituted-γ-Keggin [γ-1,2-H2SiV2W10O40]4- Polyoxometalates. A Computational Study. Computational Modeling for Homogeneous and Enzymatic Catalysis: A Knowledge-Base for Designing Efficient Catalysts. Wiley-VCH Verlag GmbH & Co. KGaA, 2008. pp. 215-230
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