553 related articles for article (PubMed ID: 19528673)
1. Study of pure and doped hydrogenated germanium cages: a density functional investigation.
Bandyopadhyay D
Nanotechnology; 2009 Jul; 20(27):275202. PubMed ID: 19528673
[TBL] [Abstract][Full Text] [Related]
2. 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]
3. A computational investigation of copper-doped germanium and germanium clusters by the density-functional theory.
Wang J; Han JG
J Chem Phys; 2005 Dec; 123(24):244303. PubMed ID: 16396533
[TBL] [Abstract][Full Text] [Related]
4. Controlled synthesis of ternary II-II'-VI nanoclusters and the effects of metal ion distribution on their spectral properties.
Degroot MW; Taylor NJ; Corrigan JF
Inorg Chem; 2005 Jul; 44(15):5447-58. PubMed ID: 16022543
[TBL] [Abstract][Full Text] [Related]
5. Molecular structure, spectroscopic studies and first-order molecular hyperpolarizabilities of ferulic acid by density functional study.
Sebastian S; Sundaraganesan N; Manoharan S
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Oct; 74(2):312-23. PubMed ID: 19581124
[TBL] [Abstract][Full Text] [Related]
6. 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]
7. Revised vibrational band assignments for the experimental IR and Raman spectra of 2,3,4-trifluorobenzonitrile based on ab initio, DFT and normal coordinate calculations.
Hiremath CS; Kalkoti GB; Aralakkanavar MK
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Sep; 74(1):200-4. PubMed ID: 19560961
[TBL] [Abstract][Full Text] [Related]
8. Chromium-doped germanium clusters CrGen (n = 1-5): geometry, electronic structure, and topology of chemical bonding.
Hou XJ; Gopakumar G; Lievens P; Nguyen MT
J Phys Chem A; 2007 Dec; 111(51):13544-53. PubMed ID: 18052141
[TBL] [Abstract][Full Text] [Related]
9. Structural evolution and stability of hydrogenated Li(n) (n = 1-30) clusters: a density functional study.
Gautam S; Dharamvir K; Goel N
J Phys Chem A; 2011 Jun; 115(24):6383-9. PubMed ID: 21568308
[TBL] [Abstract][Full Text] [Related]
10. Ab initio calculations for the Zn 2s and 2p core level binding energies in Zn oxo compounds and ZnO.
Rössler N; Kotsis K; Staemmler V
Phys Chem Chem Phys; 2006 Feb; 8(6):697-706. PubMed ID: 16482309
[TBL] [Abstract][Full Text] [Related]
11. Electronic structure of germanium monohydrides Ge(n)H, n = 1-3.
Gopakumar G; Ngan VT; Lievens P; Nguyen MT
J Phys Chem A; 2008 Nov; 112(47):12187-95. PubMed ID: 18986124
[TBL] [Abstract][Full Text] [Related]
12. Architecture, electronic structure and stability of TM@Ge(n) (TM = Ti, Zr and Hf; n = 1-20) clusters: a density functional modeling.
Kumar M; Bhattacharyya N; Bandyopadhyay D
J Mol Model; 2012 Jan; 18(1):405-18. PubMed ID: 21625900
[TBL] [Abstract][Full Text] [Related]
13. Architectures, electronic structures, and stabilities of Cu-doped Ge n clusters: density functional modeling.
Bandyopadhyay D
J Mol Model; 2012 Aug; 18(8):3887-902. PubMed ID: 22426508
[TBL] [Abstract][Full Text] [Related]
14. Novel silicon-carbon fullerene-like nanostructures: an Ab initio study on the stability of Si54C6 and Si60C6 clusters.
Srinivasan A; Ray AK
J Nanosci Nanotechnol; 2006 Jan; 6(1):43-53. PubMed ID: 16573068
[TBL] [Abstract][Full Text] [Related]
15. 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]
16. Interaction of cysteine with Cu2+ and group IIb (Zn2+, Cd2+, Hg2+) metal cations: a theoretical study.
Belcastro M; Marino T; Russo N; Toscano M
J Mass Spectrom; 2005 Mar; 40(3):300-6. PubMed ID: 15685654
[TBL] [Abstract][Full Text] [Related]
17. 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]
18. Optical properties of (GaAs)n clusters (n = 2-16).
Gutsev GL; O'Neal RH; Saha BC; Mochena MD; Johnson E; Bauschlicher CW
J Phys Chem A; 2008 Oct; 112(43):10728-35. PubMed ID: 18834095
[TBL] [Abstract][Full Text] [Related]
19. Structures and energetics of neutral and ionic silicon-germanium clusters: density functional theory and coupled cluster studies.
Wang YS; Chao SD
J Phys Chem A; 2011 Mar; 115(9):1472-85. PubMed ID: 21322541
[TBL] [Abstract][Full Text] [Related]
20. Effects of bioconjugation on the structures and electronic spectra of CdSe: density functional theory study of CdSe-adenine complexes.
Kim HS; Jang SW; Chung SY; Lee S; Lee Y; Kim B; Liu C; Neuhauser D
J Phys Chem B; 2010 Jan; 114(1):471-9. PubMed ID: 20000823
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
