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.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

100 related articles for article (PubMed ID: 15634063)

  • 1. Density functional investigations of the properties and thermochemistry of UFn and UCln (n=1,...,6).
    Batista ER; Martin RL; Hay PJ
    J Chem Phys; 2004 Dec; 121(22):11104-11. PubMed ID: 15634063
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Density functional investigations of the properties and thermochemistry of UF6 and UF5 using valence-electron and all-electron approaches.
    Batista ER; Martin RL; Hay PJ; Peralta JE; Scuseria GE
    J Chem Phys; 2004 Aug; 121(5):2144-50. PubMed ID: 15260768
    [TBL] [Abstract][Full Text] [Related]  

  • 3. All-Electron Hybrid Density Functional Calculations on UFn and UCln (n = 1-6).
    Peralta JE; Batista ER; Scuseria GE; Martin RL
    J Chem Theory Comput; 2005 Jul; 1(4):612-6. PubMed ID: 26641682
    [TBL] [Abstract][Full Text] [Related]  

  • 4. A comparative relativistic DFT and ab initio study on the structure and thermodynamics of the oxofluorides of uranium(IV), (V) and (VI).
    Shamov GA; Schreckenbach G; Vo TN
    Chemistry; 2007; 13(17):4932-47. PubMed ID: 17373000
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Examining the performance of DFT methods in uranium chemistry: does core size matter for a pseudopotential?
    Iché-Tarrat N; Marsden CJ
    J Phys Chem A; 2008 Aug; 112(33):7632-42. PubMed ID: 18652431
    [TBL] [Abstract][Full Text] [Related]  

  • 6. BAC-MP4 predictions of thermochemistry for gas-phase tin compounds in the Sn-H-C-Cl system.
    Allendorf MD; Melius CF
    J Phys Chem A; 2005 Jun; 109(22):4939-49. PubMed ID: 16833841
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Time-dependent four-component relativistic density-functional theory for excitation energies. II. The exchange-correlation kernel.
    Gao J; Zou W; Liu W; Xiao Y; Peng D; Song B; Liu C
    J Chem Phys; 2005 Aug; 123(5):054102. PubMed ID: 16108626
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Density functional studies of actinyl aquo complexes studied using small-core effective core potentials and a scalar four-component relativistic method.
    Shamov GA; Schreckenbach G
    J Phys Chem A; 2005 Dec; 109(48):10961-74. PubMed ID: 16331940
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Theoretical study of the structures and electronic properties of all-surface KI and CsI nanocrystals encapsulated in single walled carbon nanotubes.
    Bichoutskaia E; Pyper NC
    J Chem Phys; 2008 Oct; 129(15):154701. PubMed ID: 19045212
    [TBL] [Abstract][Full Text] [Related]  

  • 10. 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]  

  • 11. Gas-phase generation and electronic structure investigation of chlorosulfanyl thiocyanate, ClSSCN.
    Yao L; Ge M; Wang W; Zeng X; Sun Z; Wang D
    Inorg Chem; 2006 Jul; 45(15):5971-5. PubMed ID: 16842002
    [TBL] [Abstract][Full Text] [Related]  

  • 12. The electronic structure of alkali aurides. A four-component Dirac-Kohn-Sham study.
    Belpassi L; Tarantelli F; Sgamellotti A; Quiney HM
    J Phys Chem A; 2006 Apr; 110(13):4543-54. PubMed ID: 16571062
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Time-dependent quasirelativistic density-functional theory based on the zeroth-order regular approximation.
    Peng D; Zou W; Liu W
    J Chem Phys; 2005 Oct; 123(14):144101. PubMed ID: 16238368
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Geometrical and electronic structures of Au(m)Ag(n) (2 < or = m + n < or = 8).
    Zhao GF; Zeng Z
    J Chem Phys; 2006 Jul; 125(1):014303. PubMed ID: 16863294
    [TBL] [Abstract][Full Text] [Related]  

  • 15. A density functional theory (DFT) and time-dependent density functional theory (TDDFT) study on optical transitions in oligo(p-phenylenevinylene)-fullerene dyads and the applicability to resonant energy transfer.
    Toivonen TL; Hukka TI
    J Phys Chem A; 2007 Jun; 111(22):4821-8. PubMed ID: 17477511
    [TBL] [Abstract][Full Text] [Related]  

  • 16. As[triple bond]UF3 molecule with a weak triple bond to uranium.
    Andrews L; Wang X; Roos BO
    Inorg Chem; 2009 Jul; 48(14):6594-8. PubMed ID: 19514741
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Variational optimization of effective atom centered potentials for molecular properties.
    von Lilienfeld OA; Tavernelli I; Rothlisberger U; Sebastiani D
    J Chem Phys; 2005 Jan; 122(1):14113. PubMed ID: 15638648
    [TBL] [Abstract][Full Text] [Related]  

  • 18. 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]  

  • 19. Size dependence of the structures and energetic and electronic properties of gold clusters.
    Li XB; Wang HY; Yang XD; Zhu ZH; Tang YJ
    J Chem Phys; 2007 Feb; 126(8):084505. PubMed ID: 17343456
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Relativistic effects on the electronic structure and volatility of group-8 tetroxides MO4, where M=Ru, Os, and element 108, Hs.
    Pershina V; Bastug T; Fricke B
    J Chem Phys; 2005 Mar; 122(12):124301. PubMed ID: 15836372
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 5.