1000 related articles for article (PubMed ID: 20128599)
1. Does the MgO(100)-support facilitate the reaction of nitrogen and hydrogen molecules catalyzed by Zr2Pd2 clusters? A computational study.
Kuznetsov AE; Musaev DG
Inorg Chem; 2010 Mar; 49(5):2557-67. PubMed ID: 20128599
[TBL] [Abstract][Full Text] [Related]
2. 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]
3. 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]
4. Mechanisms of and effect of coadsorption on water dissociation on an oxygen vacancy of the MgO(100) surface.
Wang Y; Nguyen HN; Truong TN
Chemistry; 2006 Jul; 12(22):5859-67. PubMed ID: 16729339
[TBL] [Abstract][Full Text] [Related]
5. 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]
6. 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; 109(47):22392-406. PubMed ID: 16853917
[TBL] [Abstract][Full Text] [Related]
7. Kinetics and mechanism of N2 hydrogenation in bis(cyclopentadienyl) zirconium complexes and dinitrogen functionalization by 1,2-addition of a saturated C-H bond.
Bernskoetter WH; Lobkovsky E; Chirik PJ
J Am Chem Soc; 2005 Oct; 127(40):14051-61. PubMed ID: 16201827
[TBL] [Abstract][Full Text] [Related]
8. Ditantalum dinitrogen complex: reaction of H2 molecule with "end-on-bridged" [Ta(IV)]2(μ-η(1):η(1)-N2) and Bis(μ-nitrido) [Ta(V)]2(μ-N)2 complexes.
Zhang W; Tang Y; Lei M; Morokuma K; Musaev DG
Inorg Chem; 2011 Oct; 50(19):9481-90. PubMed ID: 21894917
[TBL] [Abstract][Full Text] [Related]
9. Ab initio studies on the mechanism of the size-dependent hydrogen-loss reaction in Mg+(H2O)n.
Siu CK; Liu ZF
Chemistry; 2002 Jul; 8(14):3177-86. PubMed ID: 12203347
[TBL] [Abstract][Full Text] [Related]
10. 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]
11. An embedded cluster study of the formation of water on interstellar dust grains.
Goumans TP; Catlow CR; Brown WA; Kästner J; Sherwood P
Phys Chem Chem Phys; 2009 Jul; 11(26):5431-6. PubMed ID: 19551212
[TBL] [Abstract][Full Text] [Related]
12. Slab model studies of water adsorption and decomposition on clean and X- (X = C, N and O) contaminated Pd(111) surfaces.
Cao Y; Chen ZX
Phys Chem Chem Phys; 2007 Feb; 9(6):739-46. PubMed ID: 17268686
[TBL] [Abstract][Full Text] [Related]
13. Molecular adsorption and metal-support interaction for transition-metal clusters in zeolites: NO adsorption on Pd(n) (n=1-6) clusters in mordenite.
Grybos R; Benco L; Bucko T; Hafner J
J Chem Phys; 2009 Mar; 130(10):104503. PubMed ID: 19292537
[TBL] [Abstract][Full Text] [Related]
14. A theoretical study of H(2) dissociation on (sq.rt(3) x sq.rt(3))R30 degrees CO/Ru(0001).
Groot IM; Juanes-Marcos JC; Olsen RA; Kroes GJ
J Chem Phys; 2010 Apr; 132(14):144704. PubMed ID: 20406007
[TBL] [Abstract][Full Text] [Related]
15. Insight into the adsorption competition and the relationship between dissociation and association reactions in ammonia synthesis.
Song T; Hu P
J Chem Phys; 2007 Dec; 127(23):234706. PubMed ID: 18154408
[TBL] [Abstract][Full Text] [Related]
16. 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]
17. Active sites of stoichiometric cerium oxide cations (CemO2m+) probed by reactions with carbon monoxide and small hydrocarbon molecules.
Wu XN; Zhao YX; Xue W; Wang ZC; He SG; Ding XL
Phys Chem Chem Phys; 2010 Apr; 12(16):3984-97. PubMed ID: 20379490
[TBL] [Abstract][Full Text] [Related]
18. Mechanisms of the reactions of W AND W+ with H2O: computational studies.
Musaev DG; Xu S; Irle S; Lin MC
J Phys Chem A; 2006 Apr; 110(13):4495-501. PubMed ID: 16571055
[TBL] [Abstract][Full Text] [Related]
19. Oxidation of magnesia-supported Pd-clusters leads to the ultimate limit of epitaxy with a catalytic function.
Huber B; Koskinen P; Häkkinen H; Moseler M
Nat Mater; 2006 Jan; 5(1):44-7. PubMed ID: 16327788
[TBL] [Abstract][Full Text] [Related]
20. Evidence for the involvement of 5f orbitals in the bonding and reactivity of organometallic actinide compounds: thorium(IV) and uranium(IV) bis(hydrazonato) complexes.
Cantat T; Graves CR; Jantunen KC; Burns CJ; Scott BL; Schelter EJ; Morris DE; Hay PJ; Kiplinger JL
J Am Chem Soc; 2008 Dec; 130(51):17537-51. PubMed ID: 19053455
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]