| Computational approach to molecular catalysis by 3d transition metals: challenges and opportunities KD Vogiatzis, MV Polynski, JK Kirkland, J Townsend, A Hashemi, C Liu, ... Chemical reviews 119 (4), 2453-2523, 2018 | 392 | 2018 |
| Towards operando computational modeling in heterogeneous catalysis L Grajciar, CJ Heard, AA Bondarenko, MV Polynski, J Meeprasert, ... Chemical Society Reviews 47 (22), 8307-8348, 2018 | 225 | 2018 |
| Modeling key pathways proposed for the formation and evolution of “cocktail”-type systems in Pd-catalyzed reactions involving ArX reagents MV Polynski, VP Ananikov ACS Catalysis 9 (5), 3991-4005, 2019 | 81 | 2019 |
| Fast and accurate computational modeling of adsorption on graphene: a dispersion interaction challenge EG Gordeev, MV Polynski, VP Ananikov Physical Chemistry Chemical Physics 15 (43), 18815-18821, 2013 | 76 | 2013 |
| Spatial imaging of carbon reactivity centers in Pd/C catalytic systems EO Pentsak, AS Kashin, MV Polynski, KO Kvashnina, P Glatzel, ... Chemical Science 6 (6), 3302-3313, 2015 | 74 | 2015 |
| Towards rational design of metal-organic framework-based drug delivery systems AA Simagina, MV Polynski, AV Vinogradov, EA Pidko RUSS CHEM REV 87 (9), 831–858, 2018 | 35 | 2018 |
| One-Pot and Two-Chamber Methodologies for Using Acetylene Surrogates in the Synthesis of Pyridazines and Their D-Labeled Derivatives M Ledovskaya, MV Polynski, VP Ananikov Chemistry — An Asian Journal, 2021 | 23 | 2021 |
| Primary Vinyl Ethers as Acetylene Surrogate: a Flexible Tool for Deuterium‐Labeled Pyrazole Synthesis M Ledovskaya, V Voronin, M Polynski, A Lebedev, VP Ananikov European Journal of Organic Chemistry, 2020 | 23 | 2020 |
| Understanding the solubilization of Ca acetylide with a new computational model for ionic pairs MV Polynski, MD Sapova, VP Ananikov Chemical Science 11 (48), 13102-13112, 2020 | 20 | 2020 |
| A review of mechanistic insights into CO2 reduction to higher alcohols for rational catalyst design Y Sheng, MV Polynski, MK Eswaran, B Zhang, AMH Lim, L Zhang, J Jiang, ... Applied Catalysis B: Environmental 343, 123550, 2024 | 13 | 2024 |
| Degradation paths of manganese-based MOF materials in a model oxidative environment: a computational study EV Khramenkova, MV Polynski, AV Vinogradov, EA Pidko Physical Chemistry Chemical Physics 20 (32), 20785-20795, 2018 | 12 | 2018 |
| Intermetallic species in the Negishi coupling and their involvement in inhibition pathways MV Polynski, EA Pidko Catalysis Science & Technology 9 (17), 4561-4572, 2019 | 11 | 2019 |
| Predicting 195Pt NMR Chemical Shifts in Water‐Soluble Inorganic/Organometallic Complexes with a Fast and Simple Protocol Combining Semiempirical Modeling … EE Ondar, MV Polynski, VP Ananikov ChemPhysChem 24 (11), e202200940, 2023 | 6 | 2023 |
| Reductive Elimination or C–C bond Activation with Model Ni, Pd, Pt Complexes? A High‐Accuracy Comparative Computational Analysis of Reactivity. MV Polynski, VP Ananikov European Journal of Inorganic Chemistry, 2022 | 6 | 2022 |
| 1,2,4‐Triazines and Calcium Carbide in the Catalyst‐Free Synthesis of 2,3,6‐Trisubstituted Pyridines and Their D‐, 13C‐, and Doubly D2‐13C2‐Labeled … VV Voronin, MV Polynski, MS Ledovskaya Chemistry–An Asian Journal 18 (23), e202300781, 2023 | 5 | 2023 |
| Negligible Substituent Effect as Key to Synthetic Versatility: a Computational‐Experimental Study of Vinyl Ethers Addition to Nitrile Oxides AM Kutskaya, SA Serkov, VV Voronin, MS Ledovskaya, MV Polynski ChemistrySelect 7 (10), e202200174, 2022 | 5 | 2022 |
| Computational Modeling of Graphene Systems Containing Transition Metal Atoms and Clusters MV Polynski, VP Ananikov Understanding Organometallic Reaction Mechanisms and Catalysis, 321-374, 2014 | 5 | 2014 |
| Towards determining molecular structure with ESI-MS backed by computational methods: structures of subnanoclusters of Pd and Cu chlorides, ion dynamics in vacuum, and … AA Bondarenko, YS Vlasova, MV Polynski, VV Ilyushenkova, ... Inorganic Chemistry Frontiers 9 (20), 5279-5295, 2022 | 3 | 2022 |
| Computational analysis of R–X oxidative addition to Pd nanoparticles MV Polynski, YS Vlasova, YV Solovev, SM Kozlov, VP Ananikov Chemical Science 15 (26), 9977-9986, 2024 | 1 | 2024 |
| Introduction to Dynamic Catalysis and the Interface Between Molecular and Heterogeneous Catalysts VPA Alexey S. Galushko, Alexey S. Kashin, Dmitry B. Eremin, Mikhail V ... Nanoparticles in Catalysis: Advances in Synthesis and Applications, 2021 | 1 | 2021 |
Valentine AnanikovZelinsky Institute of Organic Chemistry, Russian Academy of SciencesVerified email at ioc.ac.ru