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  1. 2019

  2. Computational Approach to Molecular Catalysis by 3d Transition Metals: Challenges and Opportunities

    Vogiatzis, K. D., Polynski, M. V., Kirkland, J. K., Townsend, J., Hashemi, A., Liu, C. & Pidko, E. A., 27 Feb 2019, In: Chemical Reviews. 119, 4, p. 2453-2523

    Research output: Contribution to journal › Review article › peer-review

  3. Intermetallic species in the Negishi coupling and their involvement in inhibition pathways

    Polynski, M. V. & Pidko, E. A., 2019, In: Catalysis Science and Technology. 9, 17, p. 4561-4572 12 p.

    Research output: Contribution to journal › Article › peer-review

  4. Modeling Key Pathways Proposed for the Formation and Evolution of “Cocktail”-Type Systems in Pd-Catalyzed Reactions Involving ArX Reagents

    Polynski, M. V. & Ananikov, V. P., 2019, In: ACS Catalysis. 9, 5, p. 3991-4005

    Research output: Contribution to journal › Article › peer-review

  5. 2018

  6. Towards operando computational modeling in heterogeneous catalysis

    Grajciar, L., Heard, C. J., Bondarenko, A. A., Polynski, M. V., Meeprasert, J., Pidko, E. A. & Nachtigall, P., 21 Nov 2018, In: Chemical Society Reviews. 47, 22, p. 8307-8348 42 p.

    Research output: Contribution to journal › Review article › peer-review

  7. Degradation paths of manganese-based MOF materials in a model oxidative environment: A computational study

    Khramenkova, E. V., Polynski, M. V., Vinogradov, A. V. & Pidko, E. A., 1 Jan 2018, In: Physical Chemistry Chemical Physics. 20, 32, p. 20785-20795 11 p.

    Research output: Contribution to journal › Article › peer-review

  8. Towards rational design of metal-organic framework-based drug delivery systems

    Simagina, A. A., Polynski, M. V., Vinogradov, A. V. & Pidko, E. A., 2018, In: Russian Chemical Reviews. 87, 9, p. 831-858 28 p.

    Research output: Contribution to journal › Article › peer-review

  9. 2015

  10. Spatial imaging of carbon reactivity centers in Pd/C catalytic systems

    Pentsak, E. O., Kashin, A. S., Polynski, M. V., Kvashnina, K. O., Glatzel, P. & Ananikov, V. P., 1 Jun 2015, In: Chemical Science. 6, 6, p. 3302-3313 12 p.

    Research output: Contribution to journal › Article › peer-review

  11. 2014

  12. Computational Modeling of Graphene Systems Containing Transition Metal Atoms and Clusters

    Polynski, M. V. & Ananikov, V. P., 24 Nov 2014, Understanding Organometallic Reaction Mechanisms and Catalysis: Computational and Experimental Tools. Wiley-Blackwell, Vol. 9783527335626. p. 321-374 54 p.

    Research output: Chapter in Book/Report/Conference proceeding › Chapter

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