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Items: 1 to 20 of 115

1.

First-principles study of O2 activation on ligand-protected Au32 clusters.

Yu S, Zeng Q, Lou Z, Yang M, Wu D.

Phys Chem Chem Phys. 2013 Jun 28;15(24):9742-51. doi: 10.1039/c3cp50354b. Epub 2013 May 13.

PMID:
23666551
2.

Theoretical study of oxygen adsorption on pure Au(n+1)+ and doped MAu(n)+ cationic gold clusters for M = Ti, Fe and n = 3-7.

Torres MB, Fernández EM, Balbás LC.

J Phys Chem A. 2008 Jul 24;112(29):6678-89. doi: 10.1021/jp800247n. Epub 2008 Jun 26.

PMID:
18578480
3.

Effect of electronic structures of Au clusters stabilized by poly(N-vinyl-2-pyrrolidone) on aerobic oxidation catalysis.

Tsunoyama H, Ichikuni N, Sakurai H, Tsukuda T.

J Am Chem Soc. 2009 May 27;131(20):7086-93. doi: 10.1021/ja810045y.

PMID:
19408934
4.

Density functional study of structural and electronic properties of bimetallic copper-gold clusters: comparison with pure and doped gold clusters.

Wang HQ, Kuang XY, Li HF.

Phys Chem Chem Phys. 2010 May 21;12(19):5156-65. doi: 10.1039/b923003c. Epub 2010 Apr 1.

PMID:
20358129
6.

First-principles study of interaction of cluster Au32 with CO, H2, and O2.

Wang Y, Gong XG.

J Chem Phys. 2006 Sep 28;125(12):124703.

PMID:
17014196
7.

Reactivity of the free and (5,5)-carbon nanotube-supported AuPt bimetallic clusters towards O2 activation: a theoretical study.

Shojaei F, Mousavi M, Nazari F, Illas F.

Phys Chem Chem Phys. 2015 Feb 7;17(5):3659-72. doi: 10.1039/c4cp05109b. Epub 2015 Jan 2.

PMID:
25553579
8.

Oxygen adsorption at anionic free and supported Au clusters.

Molina LM, Hammer B.

J Chem Phys. 2005 Oct 22;123(16):161104.

PMID:
16268673
9.

Adsorption of O2 on tubelike Au24 and Au24- clusters.

Luo C, Fa W, Dong J.

J Chem Phys. 2006 Aug 28;125(8):084707.

PMID:
16965039
10.

Low-symmetry structures of Au32Z (Z = +1, 0, -1) clusters.

Jalbout AF, Contreras-Torres FF, Pérez LA, Garzón IL.

J Phys Chem A. 2008 Jan 24;112(3):353-7. doi: 10.1021/jp074852y. Epub 2008 Jan 1.

PMID:
18166025
11.
12.

Saturated adsorption of CO and coadsorption of CO and O2 on AuN- (N=2-7) clusters.

Yuan DW, Zeng Z.

J Chem Phys. 2004 Apr 8;120(14):6574-84.

PMID:
15267549
13.

Structure and activity relationship for CO and O2 adsorption over gold nanoparticles using density functional theory and artificial neural networks.

Davran-Candan T, Günay ME, Yildirim R.

J Chem Phys. 2010 May 7;132(17):174113. doi: 10.1063/1.3369007.

PMID:
20459162
14.

The structural and electronic properties of Au(n) clusters on the α-Al2O3(0001) surface: a first principles study.

Rajesh C, Nigam S, Majumder C.

Phys Chem Chem Phys. 2014 Dec 28;16(48):26561-9. doi: 10.1039/c4cp02137a.

PMID:
25103201
15.

Comparative study of the interaction of O2 and C2H4 with small vanadium clusters from density functional theory.

Du J, Yang M, Wang J.

J Phys Chem A. 2011 Sep 22;115(37):10259-65. doi: 10.1021/jp206108u. Epub 2011 Aug 30.

PMID:
21842908
16.

O(2) adsorption and dissociation on neutral, positively and negatively charged Au(n) (n = 5-79) clusters.

Roldán A, Ricart JM, Illas F, Pacchioni G.

Phys Chem Chem Phys. 2010 Sep 28;12(36):10723-9. doi: 10.1039/c004110f. Epub 2010 Jul 8.

PMID:
20617252
17.

CO oxidation catalyzed by neutral and anionic Cu20 clusters: relationship between charge and activity.

Ma L, Melander M, Laasonen K, Akola J.

Phys Chem Chem Phys. 2015 Mar 14;17(10):7067-76. doi: 10.1039/c5cp00365b.

PMID:
25687378
18.

Oxygen adsorption on hydrated gold cluster anions: experiment and theory.

Wallace WT, Wyrwas RB, Whetten RL, Mitrić R, Bonacić-Koutecký V.

J Am Chem Soc. 2003 Jul 9;125(27):8408-14.

PMID:
12837115
19.

Computational studies of nonstoichiometric sodium auride clusters.

Lin YC, Sundholm D.

J Phys Chem A. 2012 May 31;116(21):5119-28. doi: 10.1021/jp302124v. Epub 2012 May 17.

PMID:
22571241

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