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)
