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148 related items for PubMed ID: 29457810

  • 1. A computational study of the catalytic aerobic epoxidation of propylene over the coordinatively unsaturated metal-organic framework Fe3(btc)2: formation of propylene oxide and competing reactions.
    Maihom T, Sawangphruk M, Probst M, Limtrakul J.
    Phys Chem Chem Phys; 2018 Feb 28; 20(9):6726-6734. PubMed ID: 29457810
    [Abstract] [Full Text] [Related]

  • 2. Ethylene Epoxidation with Nitrous Oxide over Fe-BTC Metal-Organic Frameworks: A DFT Study.
    Maihom T, Choomwattana S, Wannakao S, Probst M, Limtrakul J.
    Chemphyschem; 2016 Nov 04; 17(21):3416-3422. PubMed ID: 27605355
    [Abstract] [Full Text] [Related]

  • 3. Computational study of the carbonyl-ene reaction between formaldehyde and propylene encapsulated in coordinatively unsaturated metal-organic frameworks M3(btc)2 (M = Fe, Co, Ni, Cu and Zn).
    Maihom T, Probst M, Limtrakul J.
    Phys Chem Chem Phys; 2019 Jan 30; 21(5):2783-2789. PubMed ID: 30667007
    [Abstract] [Full Text] [Related]

  • 4. Coordinatively Unsaturated Metal-Organic Frameworks M3(btc)2 (M = Cr, Fe, Co, Ni, Cu, and Zn) Catalyzing the Oxidation of CO by N2O: Insight from DFT Calculations.
    Ketrat S, Maihom T, Wannakao S, Probst M, Nokbin S, Limtrakul J.
    Inorg Chem; 2017 Nov 20; 56(22):14005-14012. PubMed ID: 29083883
    [Abstract] [Full Text] [Related]

  • 5. A density functional theory study of propylene epoxidation mechanism on Ag2O(001) surface.
    Tezsevin I, van Santen RA, Onal I.
    Phys Chem Chem Phys; 2018 Nov 07; 20(41):26681-26687. PubMed ID: 30320321
    [Abstract] [Full Text] [Related]

  • 6. Nanoscaled copper metal-organic framework (MOF) based on carboxylate ligands as an efficient heterogeneous catalyst for aerobic epoxidation of olefins and oxidation of benzylic and allylic alcohols.
    Qi Y, Luan Y, Yu J, Peng X, Wang G.
    Chemistry; 2015 Jan 19; 21(4):1589-97. PubMed ID: 25430789
    [Abstract] [Full Text] [Related]

  • 7. Theoretical investigation of the carbonyl-ene reaction between encapsulated formaldehyde and propylene over M-Cu-BTC paddlewheels (M= Be, Mg, and Ca): A DFT study.
    Sangthong W, Sirijaraensre J.
    J Mol Graph Model; 2024 Jun 19; 129():108756. PubMed ID: 38479236
    [Abstract] [Full Text] [Related]

  • 8. A quantum chemical study of comparison of various propylene epoxidation mechanisms using H2O2 and TS-1 Catalyst.
    Wells DH, Joshi AM, Delgass WN, Thomson KT.
    J Phys Chem B; 2006 Aug 03; 110(30):14627-39. PubMed ID: 16869565
    [Abstract] [Full Text] [Related]

  • 9. Selective Oxidation of Propylene on Cu2O(111) and Cu2O(110) Surfaces: A Systematically DFT Study.
    Song YY, Dong B, Wang SW, Wang ZR, Zhang M, Tian P, Wang GC, Zhao Z.
    ACS Omega; 2020 Mar 31; 5(12):6260-6269. PubMed ID: 32258860
    [Abstract] [Full Text] [Related]

  • 10. Probing the Lewis acidity and catalytic activity of the metal-organic framework [Cu3(btc)2] (BTC=benzene-1,3,5-tricarboxylate).
    Alaerts L, Séguin E, Poelman H, Thibault-Starzyk F, Jacobs PA, De Vos DE.
    Chemistry; 2006 Sep 25; 12(28):7353-63. PubMed ID: 16881030
    [Abstract] [Full Text] [Related]

  • 11. Direct Propylene Epoxidation with Molecular Oxygen over Cobalt-Containing Zeolites.
    Li W, Wu G, Hu W, Dang J, Wang C, Weng X, da Silva I, Manuel P, Yang S, Guan N, Li L.
    J Am Chem Soc; 2022 Mar 09; 144(9):4260-4268. PubMed ID: 35192361
    [Abstract] [Full Text] [Related]

  • 12. Insights into the Mechanism of Carbon Dioxide and Propylene Oxide Ring-Opening Copolymerization Using a Co(III)/K(I) Heterodinuclear Catalyst.
    Deacy AC, Phanopoulos A, Lindeboom W, Buchard A, Williams CK.
    J Am Chem Soc; 2022 Oct 05; 144(39):17929-17938. PubMed ID: 36130075
    [Abstract] [Full Text] [Related]

  • 13. Copper catalyzed oxidative homocoupling of terminal alkynes to 1,3-diynes: a Cu3(BTC)2 MOF as an efficient and ligand free catalyst for Glaser-Hay coupling.
    Devarajan N, Karthik M, Suresh P.
    Org Biomol Chem; 2017 Nov 07; 15(43):9191-9199. PubMed ID: 29072762
    [Abstract] [Full Text] [Related]

  • 14. Theoretical insights into the sites and mechanisms for base catalyzed esterification and aldol condensation reactions over Cu.
    Neurock M, Tao Z, Chemburkar A, Hibbitts DD, Iglesia E.
    Faraday Discuss; 2017 Apr 28; 197():59-86. PubMed ID: 28332665
    [Abstract] [Full Text] [Related]

  • 15. Fine cubic Cu2O nanocrystals as highly selective catalyst for propylene epoxidation with molecular oxygen.
    Xiong W, Gu XK, Zhang Z, Chai P, Zang Y, Yu Z, Li D, Zhang H, Liu Z, Huang W.
    Nat Commun; 2021 Oct 11; 12(1):5921. PubMed ID: 34635649
    [Abstract] [Full Text] [Related]

  • 16. Enhanced Selectivity of the Propylene Epoxidation Reaction on a Cu Monolayer Surface via Eley-Rideal Mechanism.
    Sangolkar AA, Pawar R.
    Chemphyschem; 2022 Aug 17; 23(16):e202200334. PubMed ID: 35678180
    [Abstract] [Full Text] [Related]

  • 17. Iron-catalyzed propylene epoxidation by nitrous oxide: studies on the effects of alkali metal salts.
    Wang X, Zhang Q, Yang S, Wang Y.
    J Phys Chem B; 2005 Dec 15; 109(49):23500-8. PubMed ID: 16375324
    [Abstract] [Full Text] [Related]

  • 18. Comparison of the catalytic activity of Au3, Au4+, Au5, and Au5- in the gas-phase reaction of H2 and O2 to form hydrogen peroxide: a density functional theory investigation.
    Joshi AM, Delgass WN, Thomson KT.
    J Phys Chem B; 2005 Dec 01; 109(47):22392-406. PubMed ID: 16853917
    [Abstract] [Full Text] [Related]

  • 19. Partial oxidation of propylene to propylene oxide over a neutral gold trimer in the gas phase: a density functional theory study.
    Joshi AM, Delgass WN, Thomson KT.
    J Phys Chem B; 2006 Feb 16; 110(6):2572-81. PubMed ID: 16471857
    [Abstract] [Full Text] [Related]

  • 20. Efficient catalysts of surface hydrophobic Cu-BTC with coordinatively unsaturated Cu(I) sites for the direct oxidation of methane.
    Li W, Li Z, Zhang H, Liu P, Xie Z, Song W, Liu B, Zhao Z.
    Proc Natl Acad Sci U S A; 2023 Mar 07; 120(10):e2206619120. PubMed ID: 36848552
    [Abstract] [Full Text] [Related]

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