281 related articles for article (PubMed ID: 17004280)
1. Vapor-phase Beckmann rearrangement of oxime molecules over H-Faujasite zeolite.
Sirijaraensre J; Limtrakul J
Chemphyschem; 2006 Nov; 7(11):2424-32. PubMed ID: 17004280
[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. 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]
4. 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]
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]
6. 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]
7. A theoretical study of the reaction mechanism and product branching ratios of C2H + C2H4 and related reactions on the C4H5 potential energy surface.
Krishtal SP; Mebel AM; Kaiser RI
J Phys Chem A; 2009 Oct; 113(42):11112-28. PubMed ID: 19610595
[TBL] [Abstract][Full Text] [Related]
8. Novel quantum mechanical/molecular mechanical method combined with the theory of energy representation: free energy calculation for the Beckmann rearrangement promoted by proton transfers in the supercritical water.
Takahashi H; Tanabe K; Aketa M; Kishi R; Furukawa S; Nakano M
J Chem Phys; 2007 Feb; 126(8):084508. PubMed ID: 17343459
[TBL] [Abstract][Full Text] [Related]
9. 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; 110(6):2572-81. PubMed ID: 16471857
[TBL] [Abstract][Full Text] [Related]
10. Mechanism of the hydration of carbon dioxide: direct participation of H2O versus microsolvation.
Nguyen MT; Matus MH; Jackson VE; Vu TN; Rustad JR; Dixon DA
J Phys Chem A; 2008 Oct; 112(41):10386-98. PubMed ID: 18816037
[TBL] [Abstract][Full Text] [Related]
11. Theoretical study of the Cp2Zr-catalyzed hydrosilylation of ethylene. Reaction mechanism including new sigma-bond activation.
Sakaki S; Takayama T; Sumimoto M; Sugimoto M
J Am Chem Soc; 2004 Mar; 126(10):3332-48. PubMed ID: 15012164
[TBL] [Abstract][Full Text] [Related]
12. Computational study on mechanistic details of the aminoethanol rearrangement catalyzed by the vitamin B12-dependent ethanolamine ammonia lyase: His and Asp/Glu acting simultaneously as catalytic auxiliaries.
Semialjac M; Schwarz H
J Org Chem; 2003 Sep; 68(18):6967-83. PubMed ID: 12946137
[TBL] [Abstract][Full Text] [Related]
13. Investigation on the Beckmann rearrangement reaction catalyzed by porous solids: MAS NMR and theoretical calculations.
Lezcano-González I; Boronat M; Blasco T
Solid State Nucl Magn Reson; 2009 Apr; 35(2):120-9. PubMed ID: 19286355
[TBL] [Abstract][Full Text] [Related]
14. Structure and adsorption of a basic probe molecule on H-ZSM-5 nanostructured zeolite: an embedded ONIOM study.
Lomratsiri J; Probst M; Limtrakul J
J Mol Graph Model; 2006 Oct; 25(2):219-25. PubMed ID: 16431144
[TBL] [Abstract][Full Text] [Related]
15. 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]
16. Theoretical study of modes of adsorption of water dimer on H-ZSM-5 and H-Faujasite zeolites.
Jungsuttiwong S; Limtrakul J; Truong TN
J Phys Chem B; 2005 Jul; 109(27):13342-51. PubMed ID: 16852665
[TBL] [Abstract][Full Text] [Related]
17. 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]
18. Study of the Beckmann rearrangement of acetophenone oxime over porous solids by means of solid state NMR spectroscopy.
Fernandez AB; Lezcano-Gonzalez I; Boronat M; Blasco T; Corma A
Phys Chem Chem Phys; 2009 Jul; 11(25):5134-41. PubMed ID: 19562146
[TBL] [Abstract][Full Text] [Related]
19. Oxidative dehydrogenation of propane over a VO2-exchanged MCM-22 zeolite: a DFT study.
Wannakao S; Boekfa B; Khongpracha P; Probst M; Limtrakul J
Chemphyschem; 2010 Nov; 11(16):3432-8. PubMed ID: 20973120
[TBL] [Abstract][Full Text] [Related]
20. Structures and reaction mechanisms of cumene formation via benzene alkylation with propylene in a newly synthesized ITQ-24 zeolite: an embedded ONIOM study.
Jansang B; Nanok T; Limtrakul J
J Phys Chem B; 2006 Jun; 110(25):12626-31. PubMed ID: 16800594
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
