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

2 Scopus citations
Original languageEnglish (US)
Title of host publicationComputational Modeling for Homogeneous and Enzymatic Catalysis
Subtitle of host publicationA Knowledge-Base for Designing Efficient Catalysts
PublisherWiley-VCH Verlag GmbH & Co. KGaA
Number of pages16
ISBN (Print)9783527318438
StatePublished - Apr 1 2008


  • 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)

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