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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 -
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 -
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
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
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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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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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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