Fundamental aspects of heterogeneous Ziegler–Natta olefin polymerization catalysis: An experimental and computational overview J Kumawat, VK Gupta Polymer Chemistry 11 (38), 6107-6128, 2020 | 58 | 2020 |
Donor decomposition by Lewis acids in Ziegler–Natta catalyst systems: a computational investigation J Kumawat, VK Gupta, K Vanka Organometallics 33 (17), 4357-4367, 2014 | 34 | 2014 |
The nature of the active site in Ziegler–Natta olefin polymerization catalysis systems–A computational investigation J Kumawat, V Kumar Gupta, K Vanka European Journal of Inorganic Chemistry 2014 (29), 5063-5076, 2014 | 30 | 2014 |
Effect of donors on the activation mechanism in Ziegler–Natta catalysis: a computational study J Kumawat, VK Gupta, K Vanka ChemCatChem 8 (10), 1809-1818, 2016 | 28 | 2016 |
Role of a Multidentate Carbonate Donor in MgCl2-Supported Ziegler–Natta Olefin Polymerization Catalysis: An Experimental and Computational Approach J Kumawat, P Trivedi, VK Gupta The Journal of Physical Chemistry C 123 (40), 24501-24510, 2019 | 22 | 2019 |
A multivariate linear regression approach to predict ethene/1-Olefin copolymerization statistics promoted by group 4 catalysts B Maity, Z Cao, J Kumawat, V Gupta, L Cavallo ACS Catalysis 11 (7), 4061-4070, 2021 | 18 | 2021 |
Single to multiple site behavior of metallocenes through C–H activation for olefin polymerization: A mechanistic insight from DFT J Kumawat, VK Gupta ACS Catalysis 10 (3), 1704-1715, 2019 | 15 | 2019 |
Role of the (104) MgCl2 Lateral Cut in Ziegler–Natta Catalysis: A Computational Investigation J Kumawat, VK Gupta, K Vanka The Journal of Physical Chemistry C 122 (1), 285-296, 2018 | 11 | 2018 |
Insights into the Nature of Self‐Extinguishing External Donors for Ziegler‐Natta Catalysis: A Combined Experimental and DFT Study K Vipin Raj, J Kumawat, S Dhamaniya, M Subaramanian, E Balaraman, ... ChemCatChem 13 (2), 674-681, 2021 | 8 | 2021 |
Catalyst activation and chain transfer agents in metallocene catalysts for ethylene polymerization: a computational investigation J Kumawat, VK Gupta European Journal of Inorganic Chemistry 2021 (33), 3332-3343, 2021 | 5 | 2021 |
Coordination-induced OH/NH bond weakening by a redox non-innocent, aluminum-containing radical S Sinhababu, RP Singh, MR Radzhabov, J Kumawat, DH Ess, ... Nature Communications 15 (1), 1315, 2024 | 4 | 2024 |
Dinuclear Influence on the Mechanism, Reactivity, and Selectivity During Rh–Al-Catalyzed Aryl Ether C–O Bond Reduction/Defunctionalization J Kumawat, ID Macias, DH Ess Organometallics 42 (15), 1890-1899, 2023 | 2 | 2023 |
Synthesis of Quinoline-Based Pt–Sb Complexes with L-or Z-Type Interaction: Ligand-Controlled Redox via Anion Transfer CK Webber, F Kong, J Kumawat, J Joy, EK Richardson, P Siano, ... Organometallics, 2024 | 1 | 2024 |
Machine Learning Models for Predicting Zirconocene Properties and Barriers JK Kirkland, J Kumawat, M Shaban Tameh, T Tolman, AC Lambert, ... Journal of Chemical Information and Modeling 64 (3), 775-784, 2024 | 1 | 2024 |
In silico approaches for olefin polymerization using transition metal catalyst systems J Kumawat, VK Gupta In silico Approaches to Macromolecular Chemistry, 313-348, 2023 | 1 | 2023 |
Dinuclear Influence on the Mechanism, Reactivity, and Selectivity During Rh-Al Catalyzed Aryl Ether CO Bond Reduction/Defunctionalization D Ess, J Kumawat, I Macias | | 2023 |
Influence of lewis bases in MgCl2 supported ziegler-natta catalysis: A DFT study JK Kumawat CSIR-National Chemical Laboratory, Pune, 2016 | | 2016 |
ChemCatChem KV Raj, J Kumawat, S Dhamaniya, M Subaramanian, E Balaraman, ... | | |
The home for the most innovative and exciting polymer chemistry, with an emphasis on polymer synthesis and applications thereof J Kumawat, VK Gupta, ML Allegrezza, NDA Watuthanthrige, Y Wang, ... | | |