These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
364 related articles for article (PubMed ID: 15836043)
1. A density-functional study of the structures, binding energies and total spins of Ni-Fe clusters using nonlocal norm-conserving pseudopotentials and the generalized gradient approximation. Longo RC; Noya EG; Gallego LJ J Chem Phys; 2005 Feb; 122(8):84311. PubMed ID: 15836043 [TBL] [Abstract][Full Text] [Related]
2. A density-functional study of the structures and electronic properties of neutral, anionic, and endohedrally doped In(x)P(x) clusters. Longo RC; Carrete J; Aguilera-Granja F; Vega A; Gallego LJ J Chem Phys; 2009 Aug; 131(7):074504. PubMed ID: 19708748 [TBL] [Abstract][Full Text] [Related]
3. Geometric structure and electronic properties of neutral and anionic Fe2C3 and Fe2C4 clusters, as obtained by density-functional calculations. Noya EG; Longo RC; Gallego LJ J Chem Phys; 2004 Jan; 120(4):2069-70. PubMed ID: 15268343 [TBL] [Abstract][Full Text] [Related]
4. Magnetic cooperative effects in small Ni-Ru clusters. Aguilera-Granja F; Longo RC; Gallego LJ; Vega A J Phys Chem A; 2011 Dec; 115(47):13950-5. PubMed ID: 22029415 [TBL] [Abstract][Full Text] [Related]
5. 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]
6. A density-functional study of the structures, binding energies and magnetic moments of the clusters Mo(N) (N = 2-13), Mo(12)Fe, Mo(12)Co and Mo(12)Ni. Aguilera-Granja F; Vega A; Gallego LJ Nanotechnology; 2008 Apr; 19(14):145704. PubMed ID: 21817770 [TBL] [Abstract][Full Text] [Related]
7. Assessment of density functional theory optimized basis sets for gradient corrected functionals to transition metal systems: the case of small Nin (nLópez Arvizu G; Calaminici P J Chem Phys; 2007 May; 126(19):194102. PubMed ID: 17523793 [TBL] [Abstract][Full Text] [Related]
8. Density functional investigation of structure and stability of Ge(n) and Ge(n)Ni (n = 1-20) clusters: validity of the electron counting rule. Bandyopadhyay D; Sen P J Phys Chem A; 2010 Feb; 114(4):1835-42. PubMed ID: 20050644 [TBL] [Abstract][Full Text] [Related]
10. A density-functional study of the vertical ionization potentials of the cluster Mn13. Longo RC; Carrete J; Gallego LJ J Chem Phys; 2009 Jul; 131(4):046101. PubMed ID: 19655928 [TBL] [Abstract][Full Text] [Related]
11. Evolution of the electronic structure of Be clusters. Cerowski V; Rao BK; Khanna SN; Jena P; Ishii S; Ohno K; Kawazoe Y J Chem Phys; 2005 Aug; 123(7):074329. PubMed ID: 16229592 [TBL] [Abstract][Full Text] [Related]
12. Density functional study of the structures and electronic properties of nitrogen-doped Ni(n) clusters, n = 1-10. Chikhaoui A; Haddab K; Bouarab S; Vega A J Phys Chem A; 2011 Dec; 115(48):13997-4005. PubMed ID: 22026538 [TBL] [Abstract][Full Text] [Related]
13. 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]
15. 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]
16. The limitations of Slater's element-dependent exchange functional from analytic density-functional theory. Zope RR; Dunlap BI J Chem Phys; 2006 Jan; 124(4):044107. PubMed ID: 16460149 [TBL] [Abstract][Full Text] [Related]
17. 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]
18. QM/MM studies of Ni-Fe hydrogenases: the effect of enzyme environment on the structure and energies of the inactive and active states. Jayapal P; Sundararajan M; Hillier IH; Burton NA Phys Chem Chem Phys; 2008 Aug; 10(29):4249-57. PubMed ID: 18633545 [TBL] [Abstract][Full Text] [Related]
19. Atomic and electronic structures of neutral and charged Pbn clusters (n=2-15): theoretical investigation based on density functional theory. Rajesh C; Majumder C J Chem Phys; 2007 Jun; 126(24):244704. PubMed ID: 17614574 [TBL] [Abstract][Full Text] [Related]
20. Geometric, electronic, and bonding properties of AuNM (N = 1-7, M = Ni, Pd, Pt) clusters. Yuan DW; Wang Y; Zeng Z J Chem Phys; 2005 Mar; 122(11):114310. PubMed ID: 15836218 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]