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 *

268 related articles for article (PubMed ID: 17464397)

  • 1. Structure and stability of the (001) alpha-quartz surface.
    Goumans TP; Wander A; Brown WA; Catlow CR
    Phys Chem Chem Phys; 2007 May; 9(17):2146-52. PubMed ID: 17464397
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Ab initio investigation of structure and cohesive energy of crystalline urea.
    Civalleri B; Doll K; Zicovich-Wilson CM
    J Phys Chem B; 2007 Jan; 111(1):26-33. PubMed ID: 17201425
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Reactivity of free radicals on hydroxylated quartz surface and its implications for pathogenicity experimental and quantum mechanical study.
    Konecny R; Leonard S; Shi X; Robinson V; Castranova V
    J Environ Pathol Toxicol Oncol; 2001; 20 Suppl 1():119-32. PubMed ID: 11570669
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Density functional theory analysis of the structural and electronic properties of TiO2 rutile and anatase polytypes: performances of different exchange-correlation functionals.
    Labat F; Baranek P; Domain C; Minot C; Adamo C
    J Chem Phys; 2007 Apr; 126(15):154703. PubMed ID: 17461655
    [TBL] [Abstract][Full Text] [Related]  

  • 5. On the accuracy of density-functional theory exchange-correlation functionals for H bonds in small water clusters: benchmarks approaching the complete basis set limit.
    Santra B; Michaelides A; Scheffler M
    J Chem Phys; 2007 Nov; 127(18):184104. PubMed ID: 18020627
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Testing the TPSS meta-generalized-gradient-approximation exchange-correlation functional in calculations of transition states and reaction barriers.
    Kanai Y; Wang X; Selloni A; Car R
    J Chem Phys; 2006 Dec; 125(23):234104. PubMed ID: 17190544
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Why does the B3LYP hybrid functional fail for metals?
    Paier J; Marsman M; Kresse G
    J Chem Phys; 2007 Jul; 127(2):024103. PubMed ID: 17640115
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Performance of density functionals for first row transition metal systems.
    Jensen KP; Roos BO; Ryde U
    J Chem Phys; 2007 Jan; 126(1):014103. PubMed ID: 17212486
    [TBL] [Abstract][Full Text] [Related]  

  • 9. 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]  

  • 10. Structure and reactivity of V(2)O(5): bulk solid, nanosized clusters, species supported on silica and alumina, cluster cations and anions.
    Sauer J; Dobler J
    Dalton Trans; 2004 Oct; (19):3116-21. PubMed ID: 15452641
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Accurate interaction energies at density functional theory level by means of an efficient dispersion correction.
    Krishtal A; Vanommeslaeghe K; Olasz A; Veszprémi T; Van Alsenoy C; Geerlings P
    J Chem Phys; 2009 May; 130(17):174101. PubMed ID: 19425763
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Reconstruction of pristine and hydrolyzed quartz surfaces.
    Murashov VV
    J Phys Chem B; 2005 Mar; 109(9):4144-51. PubMed ID: 16851475
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Interaction of glycine with isolated hydroxyl groups at the silica surface: first principles B3LYP periodic simulation.
    Rimola A; Sodupe M; Tosoni S; Civalleri B; Ugliengo P
    Langmuir; 2006 Jul; 22(15):6593-604. PubMed ID: 16831002
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Calculation of the vibration frequencies of alpha-quartz: the effect of Hamiltonian and basis set.
    Zicovich-Wilson CM; Pascale F; Roetti C; Saunders VR; Orlando R; Dovesi R
    J Comput Chem; 2004 Nov; 25(15):1873-81. PubMed ID: 15376250
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Assessment of new meta and hybrid meta density functionals for predicting the geometry and binding energy of a challenging system: the dimer of H2S and benzene.
    Leverentz HR; Truhlar DG
    J Phys Chem A; 2008 Jul; 112(26):6009-16. PubMed ID: 18540587
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Density functional study of CO and NO adsorption on Ni-doped MgO(100).
    Valero R; Gomes JR; Truhlar DG; Illas F
    J Chem Phys; 2010 Mar; 132(10):104701. PubMed ID: 20232978
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Performance of a nonempirical meta-generalized gradient approximation density functional for excitation energies.
    Tao J; Tretiak S; Zhu JX
    J Chem Phys; 2008 Feb; 128(8):084110. PubMed ID: 18315036
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Structure and stability of weakly chemisorbed ethene adsorbed on low-index Cu surfaces: performance of density functionals with van der Waals interactions.
    Hanke F; Dyer MS; Björk J; Persson M
    J Phys Condens Matter; 2012 Oct; 24(42):424217. PubMed ID: 23031831
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Optical excitations of defects in realistic nanoscale silica clusters: comparing the performance of density functional theory using hybrid functionals with correlated wavefunction methods.
    Zwijnenburg MA; Sousa C; Sokol AA; Bromley ST
    J Chem Phys; 2008 Jul; 129(1):014706. PubMed ID: 18624495
    [TBL] [Abstract][Full Text] [Related]  

  • 20. The structure and binding energies of the van der Waals complexes of Ar and N2 with phenol and its cation, studied by high level ab initio and density functional theory calculations.
    Vincent MA; Hillier IH; Morgado CA; Burton NA; Shan X
    J Chem Phys; 2008 Jan; 128(4):044313. PubMed ID: 18247955
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 14.