Yury Minenkov, PhD

Postdoctoral Fellows

Research Interests

  • Theoretical modeling of homogeneous catalysis
  • Theoretical modeling of heterogeneous catalysis via cluster and plane wave slab models
  • Validation of computational methods (Density Functional and Wave Function theory methods) in reproducing molecular energetics and structure
  • The analysis and interpretation of experimental results (gas phase electron diffraction (GED))

Selected Publications

  • Metal−phosphine bond strengths of the transition metals: a challenge for DFT
    Y. Minenkov, G. Occhipinti and V.R. Jensen
    Journal of Physical Chemistry A 113, 11833–11844, (2009)
  • The accuracy of DFT-optimized geometries of functional transition metal compounds: a validation study of catalysts for olefin metathesis and other reactions in the homogeneous phase
    Y. Minenkov, A. Singstad, G. Occhipinti and V.R. Jensen
    Dalton Transactions 41, 5526–5541, (2012)
  • Complete reaction pathway of ruthenium-catalyzed olefin metathesis of ethyl vinyl ether: kinetics and mechanistic insight from DFT
    Y. Minenkov, G. Occhipinti and V.R. Jensen
    Organometallics 32, 2099–2111, (2013)
  • The nature of the barrier to phosphane dissociation from Grubbs olefin metathesis catalysts
    Y. Minenkov, G. Occhipinti, W. Heyndrickx and V.R. Jensen
    European Journal of Inorganic Chemistry, Issue 9, 1507–1516, (2012)
  • Molecular structure and bonding in octamethylporphyrin tin(II), SnN4C28H28
    G.V. Girichev, N.I. Giricheva, O.I. Koifman, Y.V. Minenkov, A.E. Pogonin, A.S. Semeikin and S.A. Shlykov
    Dalton Transactions 41, 7550–7558, (2012)

Education

  • Ph.D., Computational Chemistry, UiB, Bergen, Norway, 2013
  • M.Sc., Physical Chemistry, ISUCT, Ivanovo, Russia, 2007
  • B.Sc., Chemistry, ISUCT, Ivanovo, Russia, 2005

Professional Profile

  • 2014-Present: Postdoctoral research fellow, KAUST, Thuwal, Saudi Arabia

KAUST Affiliations

KAUST Catalysis Center (KCC)
Division of Physical Sciences and Engineering (PSE)

Research Interests Keywords

Computational chemistry Homogeneous and heterogeneous catalysis Physical chemistry