190 related articles for article (PubMed ID: 17477512)
1. Optical spectra of Cu, Ag, and Au monomers and dimers at regular sites and oxygen vacancies of the MgO(001) surface. A systematic time-dependent density functional study using embedded cluster models.
Bosko SI; Moskaleva LV; Matveev AV; Rösch N
J Phys Chem A; 2007 Jul; 111(29):6870-80. PubMed ID: 17477512
[TBL] [Abstract][Full Text] [Related]
2. Density functional embedded cluster study of Cu(4), Ag(4) and Au(4) species interacting with oxygen vacancies on the MgO(001) surface.
Neyman KM; Inntam C; Moskaleva LV; Rösch N
Chemistry; 2007; 13(1):277-86. PubMed ID: 16969882
[TBL] [Abstract][Full Text] [Related]
3. Optical properties of Cu nanoclusters supported on MgO(100).
Del Vitto A; Sousa C; Illas F; Pacchioni G
J Chem Phys; 2004 Oct; 121(15):7457-66. PubMed ID: 15473820
[TBL] [Abstract][Full Text] [Related]
4. Single d-metal atoms on F(s) and F(s+) defects of MgO(001): a theoretical study across the periodic table.
Neyman KM; Inntam C; Matveev AV; Nasluzov VA; Rösch N
J Am Chem Soc; 2005 Aug; 127(33):11652-60. PubMed ID: 16104741
[TBL] [Abstract][Full Text] [Related]
5. Au atoms and dimers on the MgO(100) surface: a DFT study of nucleation at defects.
Del Vitto A; Pacchioni G; Delbecq F; Sautet P
J Phys Chem B; 2005 Apr; 109(16):8040-8. PubMed ID: 16851939
[TBL] [Abstract][Full Text] [Related]
6. CO adsorption on pure and binary-alloy gold clusters: a quantum chemical study.
Joshi AM; Tucker MH; Delgass WN; Thomson KT
J Chem Phys; 2006 Nov; 125(19):194707. PubMed ID: 17129150
[TBL] [Abstract][Full Text] [Related]
7. Small Au and Pt clusters at the anatase TiO2(101) surface: behavior at terraces, steps, and surface oxygen vacancies.
Gong XQ; Selloni A; Dulub O; Jacobson P; Diebold U
J Am Chem Soc; 2008 Jan; 130(1):370-81. PubMed ID: 18069837
[TBL] [Abstract][Full Text] [Related]
8. Density functional study of the interaction between small Au clusters, Au(n) (n=1-7) and the rutile TiO2 surface. II. Adsorption on a partially reduced surface.
Chrétien S; Metiu H
J Chem Phys; 2007 Dec; 127(24):244708. PubMed ID: 18163696
[TBL] [Abstract][Full Text] [Related]
9. Structures of metal nanoparticles adsorbed on MgO(001). I. Ag and Au.
Ferrando R; Rossi G; Levi AC; Kuntová Z; Nita F; Jelea A; Mottet C; Barcaro G; Fortunelli A; Goniakowski J
J Chem Phys; 2009 May; 130(17):174702. PubMed ID: 19425793
[TBL] [Abstract][Full Text] [Related]
10. Infrared spectroscopy of Cu+(H2O)(n) and Ag+(H2O)(n): coordination and solvation of noble-metal ions.
Iino T; Ohashi K; Inoue K; Judai K; Nishi N; Sekiya H
J Chem Phys; 2007 May; 126(19):194302. PubMed ID: 17523799
[TBL] [Abstract][Full Text] [Related]
11. Optical absorption and luminescence energies of F centers in CaO from ab initio embedded cluster calculations.
Carrasco J; Sousa C; Illas F; Sushko PV; Shluger AL
J Chem Phys; 2006 Aug; 125(7):074710. PubMed ID: 16942367
[TBL] [Abstract][Full Text] [Related]
12. Tuning optical properties of magic number cluster (SiO2)4O2H4 by substitutional bonding with gold atoms.
Cai X; Zhang P; Ma L; Zhang W; Ning X; Zhao L; Zhuang J
J Phys Chem A; 2009 Apr; 113(17):4889-94. PubMed ID: 19354211
[TBL] [Abstract][Full Text] [Related]
13. Ground state potential energy surfaces and bound states of M-He dimers (M=Cu,Ag,Au): a theoretical investigation.
Cargnoni F; Kuś T; Mella M; Bartlett RJ
J Chem Phys; 2008 Nov; 129(20):204307. PubMed ID: 19045864
[TBL] [Abstract][Full Text] [Related]
14. 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; 112(29):6678-89. PubMed ID: 18578480
[TBL] [Abstract][Full Text] [Related]
15. O2 evolution on a clean partially reduced rutile TiO2(110) surface and on the same surface precovered with Au1 and Au2: the importance of spin conservation.
Chrétien S; Metiu H
J Chem Phys; 2008 Aug; 129(7):074705. PubMed ID: 19044790
[TBL] [Abstract][Full Text] [Related]
16. Simple DFT model of clusters embedded in rare gas matrix: trapping sites and spectroscopic properties of Na embedded in Ar.
Gervais B; Giglio E; Jacquet E; Ipatov A; Reinhard PG; Suraud E
J Chem Phys; 2004 Nov; 121(17):8466-80. PubMed ID: 15511170
[TBL] [Abstract][Full Text] [Related]
17. Destruction of SO2 on Au and Cu nanoparticles dispersed on MgO(100) and CeO2(111).
Rodriguez JA; Liu P; Pérez M; Liu G; Hrbek J
J Phys Chem A; 2010 Mar; 114(11):3802-10. PubMed ID: 19634883
[TBL] [Abstract][Full Text] [Related]
18. Point defects in CaF2 and CeO2 investigated by the periodic electrostatic embedded cluster method.
Burow AM; Sierka M; Döbler J; Sauer J
J Chem Phys; 2009 May; 130(17):174710. PubMed ID: 19425801
[TBL] [Abstract][Full Text] [Related]
19. A first principle study of the structural, vibrational and electronic properties of tetrathiafulvalene adsorbed on Ag(110) and Au(110) surfaces.
Martorell B; Clotet A; Fraxedas J
J Comput Chem; 2010 Jul; 31(9):1842-52. PubMed ID: 20020483
[TBL] [Abstract][Full Text] [Related]
20. Cluster and periodic DFT calculations of MgO/Pd(CO) and MgO/Pd(CO)(2) surface complexes.
Del Vitto A; Giordano L; Pacchioni G; Heiz U
J Phys Chem B; 2005 Mar; 109(8):3416-22. PubMed ID: 16851373
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]