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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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2018
Mechanistic Study of the Direct Hydrodeoxygenation of m -Cresol over WOx-Decorated Pt/C Catalysts
Wang, C., Mironenko, A. V., Raizada, A., Chen, T., Mao, X., Padmanabhan, A., Vlachos, D. G., Gorte, R. J. & Vohs, J. M., Sep 7 2018, In: ACS Catalysis. 8, 9, p. 7749-7759 11 p.Research output: Contribution to journal › Article › peer-review
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2016
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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2018
Non-parametric correlative uncertainty quantification and sensitivity analysis: Application to a Langmuir bimolecular adsorption model
Feng, J., Lansford, J., Mironenko, A., Pourkargar, D. B., Vlachos, D. G. & Katsoulakis, M. A., Mar 1 2018, In: AIP Advances. 8, 3, 035021.Research output: Contribution to journal › Article › peer-review
Open Access -
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 -
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