348 related articles for article (PubMed ID: 21077601)
21. Structural and electronic properties of TaSi(n) (n=1-13) clusters: a relativistic density functional investigation.
Guo P; Ren ZY; Wang F; Bian J; Han JG; Wang GH
J Chem Phys; 2004 Dec; 121(24):12265-75. PubMed ID: 15606244
[TBL] [Abstract][Full Text] [Related]
22. Study of absorption spectra and (hyper)polarizabilities of SiC(n) and Si(n)C (n=2-6) clusters using density functional response approach.
Lan YZ; Feng YL
J Chem Phys; 2009 Aug; 131(5):054509. PubMed ID: 19673576
[TBL] [Abstract][Full Text] [Related]
23. The effect of geometry on cluster polarizability: studies of sodium, copper, and silicon clusters at shape-transition sizes.
Chu X; Yang M; Jackson KA
J Chem Phys; 2011 Jun; 134(23):234505. PubMed ID: 21702565
[TBL] [Abstract][Full Text] [Related]
24. Determination of structures, stabilities, and electronic properties for bimetallic cesium-doped gold clusters: a density functional theory study.
Cheng L; Xiao-Yu K; Zhi-Wen L; Ai-Jie M; Yan-Ming M
J Phys Chem A; 2011 Aug; 115(33):9273-81. PubMed ID: 21780834
[TBL] [Abstract][Full Text] [Related]
25. Stability of small Pdn (n=1-7) clusters on the basis of structural and electronic properties: a density functional approach.
Kalita B; Deka RC
J Chem Phys; 2007 Dec; 127(24):244306. PubMed ID: 18163674
[TBL] [Abstract][Full Text] [Related]
26. Geometries and electronic properties of the tungsten-doped germanium clusters: WGen (n = 1-17).
Wang J; Han JG
J Phys Chem A; 2006 Nov; 110(46):12670-7. PubMed ID: 17107119
[TBL] [Abstract][Full Text] [Related]
27. Theoretical investigation of the (hyper)polarizabilities of pyrrole homologues C4H4XH (X = N, P, As, Sb, Bi). A coupled-cluster and density functional theory study.
Alparone A; Reis H; Papadopoulos MG
J Phys Chem A; 2006 May; 110(17):5909-18. PubMed ID: 16640389
[TBL] [Abstract][Full Text] [Related]
28. 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]
29. Geometries, stabilities, and electronic properties of different-sized ZrSi(n) (n=1-16) clusters: a density-functional investigation.
Wang J; Han JG
J Chem Phys; 2005 Aug; 123(6):64306. PubMed ID: 16122307
[TBL] [Abstract][Full Text] [Related]
30. Structural and optical properties of passivated silicon nanoclusters with different shapes: a theoretical investigation.
Wang BC; Chou YM; Deng JP; Dung YT
J Phys Chem A; 2008 Jul; 112(28):6351-7. PubMed ID: 18570356
[TBL] [Abstract][Full Text] [Related]
31. Structural and electronic properties of Si n, Si n+, and AlSi n-1 (n=2-13) clusters: theoretical investigation based on ab initio molecular orbital theory.
Nigam S; Majumder C; Kulshreshtha SK
J Chem Phys; 2004 Oct; 121(16):7756-63. PubMed ID: 15485237
[TBL] [Abstract][Full Text] [Related]
32. Theoretical study of Al(n) and Al(n)O (n = 2-10) clusters.
Sun J; Lu WC; Wang H; Li ZS; Sun CC
J Phys Chem A; 2006 Mar; 110(8):2729-38. PubMed ID: 16494384
[TBL] [Abstract][Full Text] [Related]
33. The structural and electronic properties of Ag-adsorbed (SiO2)n (n=1-7) clusters.
Zhao GF; Zhi LL; Guo LJ; Zeng Z
J Chem Phys; 2007 Dec; 127(23):234705. PubMed ID: 18154407
[TBL] [Abstract][Full Text] [Related]
34. Geometries and electronic properties of the neutral and charged rare earth Yb-doped Si(n) (n = 1-6) clusters: a relativistic density functional investigation.
Zhao RN; Ren ZY; Guo P; Bai JT; Zhang CH; Han JG
J Phys Chem A; 2006 Mar; 110(11):4071-9. PubMed ID: 16539431
[TBL] [Abstract][Full Text] [Related]
35. Structural, electronic and vibrational properties of small Ga(x)N(y) (x+y = 2-5) nanoclusters: a B3LYP-DFT study.
Yadav PS; Yadav RK; Agrawal BK
J Phys Condens Matter; 2007 Feb; 19(7):076209. PubMed ID: 22251596
[TBL] [Abstract][Full Text] [Related]
36. Physical and chemical characterization of Pt(12-n)Cu(n) clusters via ab initio calculations.
Mejía-López J; García G; Romero AH
J Chem Phys; 2009 Jul; 131(4):044701. PubMed ID: 19655903
[TBL] [Abstract][Full Text] [Related]
37. Origin of the size-dependence of the polarizability per atom in heterogeneous clusters: The case of AlP clusters.
Krishtal A; Senet P; Van Alsenoy C
J Chem Phys; 2010 Oct; 133(15):154310. PubMed ID: 20969389
[TBL] [Abstract][Full Text] [Related]
38. 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]
39. Electric dipole (hyper)polarizabilities of selected X2Y2 and X3Y3 (X = Al, Ga, In and Y = P, As): III-V semiconductor clusters. An ab initio comparative study.
Karamanis P; Pouchan C; Leszczynski J
J Phys Chem A; 2008 Dec; 112(51):13662-71. PubMed ID: 19093824
[TBL] [Abstract][Full Text] [Related]
40. Geometry and stability of BenCm (n=1-10; m=1, 2, ..., to 11-n) clusters.
Ghouri MM; Yareeda L; Mainardi DS
J Phys Chem A; 2007 Dec; 111(50):13133-47. PubMed ID: 18020429
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]