251 related articles for article (PubMed ID: 15836131)
21. Binding of propene on small gold clusters and on Au(111): simple rules for binding sites and relative binding energies.
Chrétien S; Gordon MS; Metiu H
J Chem Phys; 2004 Aug; 121(8):3756-66. PubMed ID: 15303944
[TBL] [Abstract][Full Text] [Related]
22. Oxidation of Al doped Au clusters: a first principles study.
Rajesh C; Majumder C
J Chem Phys; 2009 Jun; 130(23):234309. PubMed ID: 19548729
[TBL] [Abstract][Full Text] [Related]
23. Disparate effects of Cu and V on structures of exohedral transition metal-doped silicon clusters: a combined far-infrared spectroscopic and computational study.
Vu TN; Gruene P; Claes P; Janssens E; Fielicke A; Nguyen MT; Lievens P
J Am Chem Soc; 2010 Nov; 132(44):15589-602. PubMed ID: 20961107
[TBL] [Abstract][Full Text] [Related]
24. Validation of density functional methods for the calculation of small gold clusters.
Shi YK; Li ZH; Fan KN
J Phys Chem A; 2010 Sep; 114(37):10297-308. PubMed ID: 20806984
[TBL] [Abstract][Full Text] [Related]
25. Structure, stability, thermodynamic properties, and infrared spectra of the protonated water octamer H(+)(H2O)8.
Karthikeyan S; Park M; Shin I; Kim KS
J Phys Chem A; 2008 Oct; 112(41):10120-4. PubMed ID: 18788720
[TBL] [Abstract][Full Text] [Related]
26. Molecular structures, energetics, and electronic properties of neutral and charged Hg(n) clusters (n = 2-8).
Kang J; Kim J; Ihee H; Lee YS
J Phys Chem A; 2010 May; 114(18):5630-9. PubMed ID: 20402486
[TBL] [Abstract][Full Text] [Related]
27. Interaction of amino acids with gold and silver clusters.
Pakiari AH; Jamshidi Z
J Phys Chem A; 2007 May; 111(20):4391-6. PubMed ID: 17447742
[TBL] [Abstract][Full Text] [Related]
28. 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]
29. Energetics and kinetics of Ti clustering on neutral and charged C60 surfaces.
Yang S; Yoon M; Wang E; Zhang Z
J Chem Phys; 2008 Oct; 129(13):134707. PubMed ID: 19045116
[TBL] [Abstract][Full Text] [Related]
30. The performance of density functional and wavefunction-based methods for 2D and 3D structures of Au10.
Götz DA; Schäfer R; Schwerdtfeger P
J Comput Chem; 2013 Sep; 34(23):1975-81. PubMed ID: 23720388
[TBL] [Abstract][Full Text] [Related]
31. Structure of molybdenum and tungsten sulfide M(x)S(y)+ clusters: experiment and DFT calculations.
Patterson MJ; Lightstone JM; White MG
J Phys Chem A; 2008 Nov; 112(47):12011-21. PubMed ID: 18980366
[TBL] [Abstract][Full Text] [Related]
32. Influence of molecular geometry, exchange-correlation functional, and solvent effects in the modeling of vertical excitation energies in phthalocyanines using time-dependent density functional theory (TDDFT) and polarized continuum model TDDFT methods: can modern computational chemistry methods explain experimental controversies?
Nemykin VN; Hadt RG; Belosludov RV; Mizuseki H; Kawazoe Y
J Phys Chem A; 2007 Dec; 111(50):12901-13. PubMed ID: 18004829
[TBL] [Abstract][Full Text] [Related]
33. Relativistic effects and the unique low-symmetry structures of gold nanoclusters.
Huang W; Ji M; Dong CD; Gu X; Wang LM; Gong XG; Wang LS
ACS Nano; 2008 May; 2(5):897-904. PubMed ID: 19206486
[TBL] [Abstract][Full Text] [Related]
34. Interplay between covalent and aurophilic interactions in a series of isostructural 3D Hoffman-like frameworks containing bipyrimidine and dicyanoaurate bridges. X-Ray structure and magnetic properties of {(mu-Au(CN)(2)](2)[(M(NH(3))(2))(2)(mu-bpym)]}[Au(CN)(2)](2) (M = Ni(II), Co(II) and Cu(II)).
Suárez-Varela J; Sakiyama H; Cano J; Colacio E
Dalton Trans; 2007 Jan; (2):249-56. PubMed ID: 17180193
[TBL] [Abstract][Full Text] [Related]
35. Structure and stability of Al-doped boron clusters by the density-functional theory.
Feng XJ; Luo YH
J Phys Chem A; 2007 Mar; 111(12):2420-5. PubMed ID: 17388307
[TBL] [Abstract][Full Text] [Related]
36. Structural study of gold clusters.
Xiao L; Tollberg B; Hu X; Wang L
J Chem Phys; 2006 Mar; 124(11):114309. PubMed ID: 16555890
[TBL] [Abstract][Full Text] [Related]
37. Energetics, structure, and electron detachment spectra of calcium and zinc neutral and anion clusters: a density functional theory study.
Dai Y; Blaisten-Barojas E
J Phys Chem A; 2008 Nov; 112(44):11052-60. PubMed ID: 18855368
[TBL] [Abstract][Full Text] [Related]
38. A G3 study of the structure of carbon-nitrogen nanoclusters.
Al Mogren MM; El-Azhary AA; Alkiali WZ; Hochlaf M
J Phys Chem A; 2010 Nov; 114(46):12258-68. PubMed ID: 21033747
[TBL] [Abstract][Full Text] [Related]
39. Melting and freezing characteristics and structural properties of supported and unsupported gold nanoclusters.
Kuo CL; Clancy P
J Phys Chem B; 2005 Jul; 109(28):13743-54. PubMed ID: 16852722
[TBL] [Abstract][Full Text] [Related]
40. Low-energy isomer identification, structural evolution, and magnetic properties in manganese-doped gold clusters MnAu(n) (n = 1-16).
Zhang M; Zhang H; Zhao L; Li Y; Luo Y
J Phys Chem A; 2012 Feb; 116(6):1493-502. PubMed ID: 22225504
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]
