Výsledky vyhledávání - "Jugal Kumawat"

Akademický článek

Coordination-induced O-H/N-H bond weakening by a redox non-innocent, aluminum-containing radical

Autor: Soumen Sinhababu, Roushan Prakash Singh, Maxim R. Radzhabov, Jugal Kumawat, Daniel H. Ess, Neal P. Mankad

Publikováno v: Nature Communications, Vol 15, Iss 1, Pp 1-7 (2024)

Abstract Several renewable energy schemes aim to use the chemical bonds in abundant molecules like water and ammonia as energy reservoirs. Because the O-H and N-H bonds are quite strong (>100 kcal/mol), it is necessary to identify substances that dra

Externí odkaz: https://doaj.org/article/1251c1750e1442feb639bfe6c76d8c89

Zobrazit plný text záznamu

Dinuclear Influence on the Mechanism, Reactivity, and Selectivity During Rh-Al Catalyzed Aryl Ether C-O Bond Reduction/Defunctionalization

Autor: Daniel Ess, Jugal Kumawat, Iran Macias

Dinuclear metal complexes with a direct metal-metal interaction have the potential for unique mechanisms, intermediates, and selectivity during catalysis. Here we report density functional theory (DFT) calculations that directly evaluate the influenc

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::e3fb28752d6639f7dc6c3c7b27ae2448
https://doi.org/10.26434/chemrxiv-2023-v4b8f

Zobrazit plný text záznamu

A Multivariate Linear Regression Approach to Predict Ethene/1-Olefin Copolymerization Statistics Promoted by Group 4 Catalysts

Autor: Virendrakumar Gupta, Zhen Cao, Jugal Kumawat, Bholanath Maity, Luigi Cavallo

Publikováno v: ACS Catalysis. 11:4061-4070

L.C. acknowledges the King Abdullah University of Science and Technology (KAUST) for support and the KAUST Supercomputing Laboratory for providing computational resources of the supercomputer Shaheen II.

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::63314eafccce42e62c6ea2528c30ccdf
https://doi.org/10.1021/acscatal.0c04856

Zobrazit plný text záznamu

Fundamental aspects of heterogeneous Ziegler–Natta olefin polymerization catalysis: an experimental and computational overview

Autor: Jugal Kumawat, Virendrakumar Gupta

Publikováno v: Polymer Chemistry. 11:6107-6128

MgCl2 supported Ziegler–Natta (Z–N) catalysts have emerged as the most exciting chemical process for polyolefin technology, which is responsible for the production of ∼150 million tons of polyolefin (polyethylene and polypropylene) per annum. H

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::c4f538319b53826a33a59b4c78e5424e
https://doi.org/10.1039/d0py00753f

Zobrazit plný text záznamu

Single to Multiple Site Behavior of Metallocenes through C–H Activation for Olefin Polymerization: A Mechanistic Insight from DFT

Autor: Virendrakumar Gupta, Jugal Kumawat

Publikováno v: ACS Catalysis. 10:1704-1715

Density functional theory has been used to study single to multiple site behavior of metallocene catalysts for olefin polymerization using (CpPr)2Hf(R)2 and (CpPr)2Zr(R)2 (here, R = Me and n-butyl ...

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::831a03734034d75009c7cf90eb23e0e8
https://doi.org/10.1021/acscatal.9b03741

Zobrazit plný text záznamu

Role of a Multidentate Carbonate Donor in MgCl2-Supported Ziegler–Natta Olefin Polymerization Catalysis: An Experimental and Computational Approach

Autor: Virendrakumar Gupta, Jugal Kumawat, Parthiv M Trivedi

Publikováno v: The Journal of Physical Chemistry C. 123:24501-24510

A new multidentate carbonate (3,3,3′,3′-tetramethyl-2,2′,3,3′-tetrahydro-1,1′-spirobiindane-5,5′,6,6′-tetracarbonate) is studied as a potential internal electron donor for Ziegler–Natta (Z–N) catal...

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::d160286308670447aa50a7f5b84be73f
https://doi.org/10.1021/acs.jpcc.9b05405

Zobrazit plný text záznamu

Insights into the Nature of Self‐Extinguishing External Donors for Ziegler-Natta Catalysis: A Combined Experimental and DFT Study

Autor: Virendrakumar Gupta, K. Vipin Raj, Murugan Subaramanian, Kumar Vanka, Jugal Kumawat, Sunil Dhamaniya, Robert H. Grubbs, Ekambaram Balaraman

Developing donors for Ziegler‐Natta (ZN) catalysis to control the polymerization reaction and produce polymers with desirable properties has always been challenging due to the multi‐component nature of the catalytic systems. Here, we have develop

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::84602e3cf2bffef908e09f44412799f5
https://resolver.caltech.edu/CaltechAUTHORS:20201027-085106547

Zobrazit plný text záznamu

Vyhledávací nástroje:

Upřesnit hledání