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  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

  • Hydrogenolysis
  • adipic acid
  • tetrahydrofuran
  • Dicarboxylic Acids
  • Acids

• 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

  • Precious metals
  • Oxides
  • Carbon Monoxide
  • Chemical activation
  • Metals

• 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

  • Mars
  • Oxides
  • Chemical activation
  • catalyst
  • Metals

• 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

  • Molecular mechanics
  • Density functional theory
  • Quantum theory
  • quantum mechanics
  • density functional theory

• 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

  • 2,5-dimethyltetrahydrofuran
  • 5-methyl-2-furfural
  • 2,5-dimethylfuran
  • 2-hexanol
  • hexamethylene glycol

• 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

  • 2,5-dimethylfuran
  • 5-hydroxymethylfurfural
  • Nanocrystals
  • Oxides
  • Monolayers

• Mechanistic Study of the Direct Hydrodeoxygenation of m -Cresol over WO_x-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

  • 3-cresol
  • Oxygen vacancies
  • Density functional theory
  • Toluene
  • Hydrogenolysis

• 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

  • sensitivity analysis
  • adsorption
  • ranking
  • platinum
  • chemical reactions

• 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

  • Vibrational spectra
  • Adsorbates
  • Transition metals
  • Adsorption
  • metal surfaces