386 related articles for article (PubMed ID: 16853698)
1. Studies of iridium nanoparticles using density functional theory calculations.
Pawluk T; Hirata Y; Wang L
J Phys Chem B; 2005 Nov; 109(44):20817-23. PubMed ID: 16853698
[TBL] [Abstract][Full Text] [Related]
2. Interaction of atomic hydrogen with single-walled carbon nanotubes: a density functional theory study.
Barone V; Heyd J; Scuseria GE
J Chem Phys; 2004 Apr; 120(15):7169-73. PubMed ID: 15267624
[TBL] [Abstract][Full Text] [Related]
3. A hybrid density functional study of zigzag SiC nanotubes.
Alam KM; Ray AK
Nanotechnology; 2007 Dec; 18(49):495706. PubMed ID: 20442487
[TBL] [Abstract][Full Text] [Related]
4. Effect of the adsorption of oxygen on electronic structures and geometrical parameters of armchair single-wall carbon nanotubes: a density functional study.
Rafati AA; Hashemianzadeh SM; Nojini ZB
J Colloid Interface Sci; 2009 Aug; 336(1):1-12. PubMed ID: 19394629
[TBL] [Abstract][Full Text] [Related]
5. Adsorption of transition-metal atoms on boron nitride nanotube: a density-functional study.
Wu X; Zeng XC
J Chem Phys; 2006 Jul; 125(4):44711. PubMed ID: 16942178
[TBL] [Abstract][Full Text] [Related]
6. Structure and electronic properties of PbnM (M=C, Al, In, Mg, Sr, Ba, and Pb; n=8, 10, 12, and 14) clusters: theoretical investigations based on first principles calculations.
Rajesh C; Majumder C
J Chem Phys; 2008 Jan; 128(2):024308. PubMed ID: 18205451
[TBL] [Abstract][Full Text] [Related]
7. 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]
8. Adsorption of an Mn atom on a ZnO sheet and nanotube: a density functional theory study.
He AL; Wang XQ; Wu RQ; Lu YH; Feng YP
J Phys Condens Matter; 2010 May; 22(17):175501. PubMed ID: 21393668
[TBL] [Abstract][Full Text] [Related]
9. Interaction of Pt clusters with the anatase TiO(2)(101) surface: a first principles study.
Han Y; Liu CJ; Ge Q
J Phys Chem B; 2006 Apr; 110(14):7463-72. PubMed ID: 16599526
[TBL] [Abstract][Full Text] [Related]
10. First-principles calculations of AlN nanowires and nanotubes: atomic structures, energetics, and surface states.
Zhao M; Xia Y; Liu X; Tan Z; Huang B; Song C; Mei L
J Phys Chem B; 2006 May; 110(17):8764-8. PubMed ID: 16640433
[TBL] [Abstract][Full Text] [Related]
11. Semiconducting cyanide-transition-metal nanotubes.
Mo Y; Kaxiras E
Small; 2007 Jul; 3(7):1253-8. PubMed ID: 17506041
[TBL] [Abstract][Full Text] [Related]
12. Nanosized (mu12-Pt)Pd164-xPtx(CO)72(PPh3)20 (x approximately 7) containing Pt-centered four-shell 165-atom Pd-Pt core with unprecedented intershell bridging carbonyl ligands: comparative analysis of icosahedral shell-growth patterns with geometrically related Pd145(CO)x(PEt3)30 (x approximately 60) containing capped three-shell Pd145 core.
Mednikov EG; Jewell MC; Dahl LF
J Am Chem Soc; 2007 Sep; 129(37):11619-30. PubMed ID: 17722929
[TBL] [Abstract][Full Text] [Related]
13. Ab initio study of structural, electronic, and magnetic properties of V(n)(C(60))(m) complexes.
Zhang X; Wang J; Zeng XC
J Phys Chem A; 2009 May; 113(18):5406-13. PubMed ID: 19402717
[TBL] [Abstract][Full Text] [Related]
14. Adsorption of hydrogen molecules on the platinum-doped boron nitride nanotubes.
Wu X; Yang JL; Zeng XC
J Chem Phys; 2006 Jul; 125(4):44704. PubMed ID: 16942171
[TBL] [Abstract][Full Text] [Related]
15. Density functional theory study of the geometry, energetics, and reconstruction process of Si111 surfaces.
Solares SD; Dasgupta S; Schultz PA; Kim YH; Musgrave CB; Goddard WA
Langmuir; 2005 Dec; 21(26):12404-14. PubMed ID: 16343021
[TBL] [Abstract][Full Text] [Related]
16. Interaction of a transition metal atom with intrinsic defects in single-walled carbon nanotubes.
Yang SH; Shin WH; Lee JW; Kim SY; Woo SI; Kang JK
J Phys Chem B; 2006 Jul; 110(28):13941-6. PubMed ID: 16836345
[TBL] [Abstract][Full Text] [Related]
17. Au20: a tetrahedral cluster.
Li J; Li X; Zhai HJ; Wang LS
Science; 2003 Feb; 299(5608):864-7. PubMed ID: 12574622
[TBL] [Abstract][Full Text] [Related]
18. Structure, stability, electronic and magnetic properties of Ni4 clusters containing impurity atoms.
St Petkov P; Vayssilov GN; Krüger S; Rösch N
Phys Chem Chem Phys; 2006 Mar; 8(11):1282-91. PubMed ID: 16633608
[TBL] [Abstract][Full Text] [Related]
19. First-principles study of Ru atoms and clusters adsorbed outside and inside carbon nanotubes.
Gao H; Zhao J
J Chem Phys; 2010 Jun; 132(23):234704. PubMed ID: 20572731
[TBL] [Abstract][Full Text] [Related]
20. The competition of double-, four-, and three-ring tubular B(3n) (n = 8-32) nanoclusters.
Tian FY; Wang YX
J Chem Phys; 2008 Jul; 129(2):024903. PubMed ID: 18624559
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
