Zobrazeno 1 - 10
of 92
pro vyhledávání: '"Evans, Adei"'
Autor:
Sylvia Adomako, Joshua Atta-Kumi, Cecil H. Botchway, Richard Tia, Evans Adei, Albert Aniagyei
Publikováno v:
Journal of Chemistry, Vol 2023 (2023)
Heterocyclic compounds are vital in rational drug design by providing convenient means for the optimization of drugs or drug candidates. Isoxazolidine (a heterocyclic compound) derived from the (3 + 2) cycloaddition reaction is reported to possess an
Externí odkaz:
https://doaj.org/article/ce1ff5ffe83247b6a251bcf158f51634
Publikováno v:
Catalysts, Vol 13, Iss 4, p 757 (2023)
The potential energy surfaces of the reactions involved in the catalytic cleavage of 2-phenoxy-1-phenylethanol, a model of the β-O-4 linkage in lignin, by (iprPCP)-Ir, (iprPCOP)-Ir, (iprPCP)-Co and (iprPCOP)-Co complexes have been studied using the
Externí odkaz:
https://doaj.org/article/a44d7637d560484da8f198e578f9f2de
Publikováno v:
Frontiers in Chemistry, Vol 10 (2022)
The detailed mechanism of the base-catalyzed C-C and C-O bond cleavage of a model compound representing the β-O-4 linkage in lignin is elucidated using DFT calculations at the M06/6-31G* level of theory. Two types of this linkage have been studied,
Externí odkaz:
https://doaj.org/article/3cab9c57d2824a4b959718acbc20b706
Publikováno v:
Materials for Renewable and Sustainable Energy, Vol 9, Iss 1, Pp 1-7 (2020)
Abstract Insight into the detailed mechanism of the Sabatier reaction on iron is essential for the design of cheap, environmentally benign, efficient and selective catalytic surfaces for CO2 reduction. Earlier attempts to unravel the mechanism of CO2
Externí odkaz:
https://doaj.org/article/26957713ee194d399033f5973cd85db0
Publikováno v:
Physical Chemistry Chemical Physics. 25:6247-6252
The catalytic hydrodeoxygenation of guaiacol compounds over the Cu (111) surface was calculated to unravel the process of bio-oil upgrading.
Autor:
Caroline R. Kwawu, Destiny Konadu, Paul Boamah, Kassim Fuwad Mohammed, Isaac Danso Boateng, Evans Adei
Publikováno v:
MRS Advances.
Publikováno v:
Catalysts, Vol 11, Iss 4, p 523 (2021)
Understanding the mechanism of the catalytic upgrade of bio-oils via the process of hydrodeoxygenation (HDO) is desirable to produce targeted oxygen-deficient bio-fuels. We have used calculations based on the density functional theory to investigate
Externí odkaz:
https://doaj.org/article/2e2198b8f18442efb5c06bfcd727ce33
Autor:
Caroline R. Kwawu, Albert Aniagyei, Destiny Konadu, Kenneth Limbey, Elliot Menkah, Richard Tia, Evans Adei
Publikováno v:
Chemical Papers. 76:4471-4480
Influence of Topology and Brønsted Acid Site Presence on Methanol Diffusion in Zeolites Beta and MFI
Autor:
Cecil H. Botchway, Richard Tia, Evans Adei, Alexander J. O’Malley, Nelson Y. Dzade, Carlos Hernandez-Tamargo, Nora H. de Leeuw
Publikováno v:
Catalysts, Vol 10, Iss 11, p 1342 (2020)
Detailed insight into molecular diffusion in zeolite frameworks is crucial for the analysis of the factors governing their catalytic performance in methanol-to-hydrocarbons (MTH) reactions. In this work, we present a molecular dynamics study of the d
Externí odkaz:
https://doaj.org/article/a4712cf6bdf64f3488eedad56bb96f2c
Publikováno v:
Journal of Molecular Graphics and Modelling. 123:108515