These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
164 related articles for article (PubMed ID: 18588267)
1. Theoretical study on the nitration of methane by acyl nitrate catalyzed by H-ZSM5 zeolite. Silva AM; Nascimento MA J Phys Chem A; 2008 Sep; 112(38):8916-9. PubMed ID: 18588267 [TBL] [Abstract][Full Text] [Related]
2. Effect of the acidic strength on the vapor phase Beckmann rearrangement of cyclohexanone oxime over the MFI zeolite: an embedded ONIOM study. Sirijaraensre J; Limtrakul J Phys Chem Chem Phys; 2009 Jan; 11(3):578-85. PubMed ID: 19283276 [TBL] [Abstract][Full Text] [Related]
3. Investigation of ethylene dimerization over faujasite zeolite by the ONIOM method. Namuangruk S; Pantu P; Limtrakul J Chemphyschem; 2005 Jul; 6(7):1333-9. PubMed ID: 15952221 [TBL] [Abstract][Full Text] [Related]
4. Treating dispersion effects in extended systems by hybrid MP2:DFT calculations--protonation of isobutene in zeolite ferrierite. Tuma C; Sauer J Phys Chem Chem Phys; 2006 Sep; 8(34):3955-65. PubMed ID: 17028686 [TBL] [Abstract][Full Text] [Related]
5. Effects of the zeolite framework on the adsorptions and hydrogen-exchange reactions of unsaturated aliphatic, aromatic, and heterocyclic compounds in ZSM-5 zeolite: a combination of perturbation theory (MP2) and a newly developed density functional theory (M06-2X) in ONIOM scheme. Boekfa B; Choomwattana S; Khongpracha P; Limtrakul J Langmuir; 2009 Nov; 25(22):12990-9. PubMed ID: 19899817 [TBL] [Abstract][Full Text] [Related]
7. DFT study of the mechanisms of in water Au(I)-catalyzed tandem [3,3]-rearrangement/Nazarov reaction/[1,2]-hydrogen shift of enynyl acetates: a proton-transport catalysis strategy in the water-catalyzed [1,2]-hydrogen shift. Shi FQ; Li X; Xia Y; Zhang L; Yu ZX J Am Chem Soc; 2007 Dec; 129(50):15503-12. PubMed ID: 18027935 [TBL] [Abstract][Full Text] [Related]
8. Density functional study of the mechanism of the Beckmann rearrangement catalyzed by H-ZSM-5: a cluster and embedded cluster study. Sirijaraensre J; Truong TN; Limtrakul J J Phys Chem B; 2005 Jun; 109(24):12099-106. PubMed ID: 16852493 [TBL] [Abstract][Full Text] [Related]
9. Mechanistic aspects of propene epoxidation by hydrogen peroxide. Catalytic role of water molecules, external electric field, and zeolite framework of TS-1. Stare J; Henson NJ; Eckert J J Chem Inf Model; 2009 Apr; 49(4):833-46. PubMed ID: 19267473 [TBL] [Abstract][Full Text] [Related]
10. Computational study of the aminolysis of anhydrides: effect of the catalysis to the reaction of succinic anhydride with methylamine in gas phase and nonpolar solution. Petrova T; Okovytyy S; Gorb L; Leszczynski J J Phys Chem A; 2008 Jun; 112(23):5224-35. PubMed ID: 18491887 [TBL] [Abstract][Full Text] [Related]
11. Methane-to-methanol oxidation by the hydrated iron(IV) oxo species in aqueous solution: a combined DFT and car-parrinello molecular dynamics study. Ensing B; Buda F; Gribnau MC; Baerends EJ J Am Chem Soc; 2004 Apr; 126(13):4355-65. PubMed ID: 15053625 [TBL] [Abstract][Full Text] [Related]
12. Selective decomposition of alkyl hydroperoxides on H-type zeolite via a concerted approach. Yuan J; Liao X; Wang H; Yang G; Tang M J Phys Chem B; 2009 Feb; 113(5):1418-22. PubMed ID: 19138139 [TBL] [Abstract][Full Text] [Related]
13. Reactivity of isobutane on zeolites: a first principles study. Zheng X; Blowers P J Phys Chem A; 2006 Feb; 110(7):2455-60. PubMed ID: 16480305 [TBL] [Abstract][Full Text] [Related]
14. Optimal binding site of a methane molecule on the silanol covered (010) surface of silicalite-1: ONIOM calculations. Remsungnen T; Kormilets V; Loisruangsin A; Schüring A; Fritzsche S; Haberlandt R; Hannongbua S J Phys Chem B; 2006 Jun; 110(24):11932-5. PubMed ID: 16800497 [TBL] [Abstract][Full Text] [Related]
15. Experimental and theoretical evidence of basic site preference in polyfunctional superbasic amidinazine: N(1),N(1)-dimethyl-N(2)-beta-(2-pyridylethyl)formamidine. Raczyńska ED; Darowska M; Dabkowska I; Decouzon M; Gal JF; Maria PC; Poliart CD J Org Chem; 2004 Jun; 69(12):4023-30. PubMed ID: 15176827 [TBL] [Abstract][Full Text] [Related]
16. Functionalization of zeolite ZSM-5 by hydrosilylation and acetone coupling: synthesis, MAS NMR, and theory. Abubakar SM; Lee JC; Marcus DM; Ehresmann JO; Haw JF J Phys Chem B; 2006 Aug; 110(30):14598-603. PubMed ID: 16869560 [TBL] [Abstract][Full Text] [Related]
17. Structures and reaction mechanisms of propene oxide isomerization on H-ZSM-5: an ONIOM study. Namuangruk S; Khongpracha P; Pantu P; Limtrakul J J Phys Chem B; 2006 Dec; 110(51):25950-7. PubMed ID: 17181244 [TBL] [Abstract][Full Text] [Related]
18. Spectroscopic evidence for a persistent benzenium cation in zeolite H-beta. Bjørgen M; Bonino F; Kolboe S; Lillerud KP; Zecchina A; Bordiga S J Am Chem Soc; 2003 Dec; 125(51):15863-8. PubMed ID: 14677978 [TBL] [Abstract][Full Text] [Related]
19. Zeolite-supported palladium tetramer and its reactivity toward H2 molecules: computational studies. Moc J; Musaev DG; Morokuma K J Phys Chem A; 2008 Jul; 112(26):5973-83. PubMed ID: 18547034 [TBL] [Abstract][Full Text] [Related]