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2019
Fundamentals of C–O bond activation on metal oxide catalysts
Goulas, K. A., Mironenko, A. V., Jenness, G. R., Mazal, T. & Vlachos, D. G., Mar 1 2019, In: Nature Catalysis. 2, 3, p. 269-276 8 p.Research output: Contribution to journal › Article › peer-review
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2020
Density Functional Theory-based Quantum Mechanics/Coarse-grained Molecular Mechanics: Theory and Implementation
Mironenko, A. V. & Voth, G. A., Oct 13 2020, In: Journal of Chemical Theory and Computation. 16, 10, p. 6329-6342 14 p.Research output: Contribution to journal › Article › peer-review
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2016
Conjugation-Driven "reverse Mars-van Krevelen"-Type Radical Mechanism for Low-Temperature C-O Bond Activation
Mironenko, A. V. & Vlachos, D. G., Jul 6 2016, In: Journal of the American Chemical Society. 138, 26, p. 8104-8113 10 p.Research output: Contribution to journal › Article › peer-review
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Mechanisms for High Selectivity in the Hydrodeoxygenation of 5-Hydroxymethylfurfural over PtCo Nanocrystals
Luo, J., Yun, H., Mironenko, A. V., Goulas, K., Lee, J. D., Monai, M., Wang, C., Vorotnikov, V., Murray, C. B., Vlachos, D. G., Fornasiero, P. & Gorte, R. J., Jul 1 2016, In: ACS Catalysis. 6, 7, p. 4095-4104 10 p.Research output: Contribution to journal › Article › peer-review
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2017
Adipic acid production via metal-free selective hydrogenolysis of biomass-derived tetrahydrofuran-2,5-dicarboxylic acid
Gilkey, M. J., Mironenko, A. V., Vlachos, D. G. & Xu, B., 2017, In: ACS Catalysis. 7, 10, p. 6619-6634 16 p.Research output: Contribution to journal › Article › peer-review
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2016
Insights into the Ring-Opening of Biomass-Derived Furanics over Carbon-Supported Ruthenium
Gilkey, M. J., Mironenko, A. V., Yang, L., Vlachos, D. G. & Xu, B., Nov 9 2016, In: ChemSusChem. 9, 21, p. 3113-3121 9 p.Research output: Contribution to journal › Article › peer-review
Open Access -
2017
Scaling relationships and theory for vibrational frequencies of adsorbates on transition metal surfaces
Lansford, J. L., Mironenko, A. V. & Vlachos, D. G., Dec 1 2017, In: Nature communications. 8, 1, 1842.Research output: Contribution to journal › Article › peer-review
Open Access -
2020
C–O bond activation using ultralow loading of noble metal catalysts on moderately reducible oxides
Fu, J., Lym, J., Zheng, W., Alexopoulos, K., Mironenko, A. V., Li, N., Boscoboinik, J. A., Su, D., Weber, R. T. & Vlachos, D. G., May 1 2020, In: Nature Catalysis. 3, 5, p. 446-453 8 p.Research output: Contribution to journal › Article › peer-review