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 *

215 related articles for article (PubMed ID: 15267918)

  • 1. The binding energies of the D2d and S4 water octamer isomers: high-level electronic structure and empirical potential results.
    Xantheas SS; Aprà E
    J Chem Phys; 2004 Jan; 120(2):823-8. PubMed ID: 15267918
    [TBL] [Abstract][Full Text] [Related]  

  • 2. CCSD(T) complete basis set limit relative energies for low-lying water hexamer structures.
    Bates DM; Tschumper GS
    J Phys Chem A; 2009 Apr; 113(15):3555-9. PubMed ID: 19354314
    [TBL] [Abstract][Full Text] [Related]  

  • 3. High-level ab initio calculations for the four low-lying families of minima of (H2O)20. I. Estimates of MP2/CBS binding energies and comparison with empirical potentials.
    Fanourgakis GS; Aprà E; Xantheas SS
    J Chem Phys; 2004 Aug; 121(6):2655-63. PubMed ID: 15281866
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Benchmark theoretical study of the π-π binding energy in the benzene dimer.
    Miliordos E; Aprà E; Xantheas SS
    J Phys Chem A; 2014 Sep; 118(35):7568-78. PubMed ID: 24761749
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Estimated MP2 and CCSD(T) interaction energies of n-alkane dimers at the basis set limit: comparison of the methods of Helgaker et al. and Feller.
    Tsuzuki S; Honda K; Uchimaru T; Mikami M
    J Chem Phys; 2006 Mar; 124(11):114304. PubMed ID: 16555885
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Ab initio study of hydrogen-bond formation between aliphatic and phenolic hydroxy groups and selected amino acid side chains.
    Nagy PI; Erhardt PW
    J Phys Chem A; 2008 May; 112(18):4342-54. PubMed ID: 18373368
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Basis set dependence of higher-order correlation effects in π-type interactions.
    Carrell EJ; Thorne CM; Tschumper GS
    J Chem Phys; 2012 Jan; 136(1):014103. PubMed ID: 22239765
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Probing the effects of heterogeneity on delocalized pi...pi interaction energies.
    Bates DM; Anderson JA; Oloyede P; Tschumper GS
    Phys Chem Chem Phys; 2008 May; 10(19):2775-9. PubMed ID: 18464993
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Approximations to complete basis set-extrapolated, highly correlated non-covalent interaction energies.
    Mackie ID; DiLabio GA
    J Chem Phys; 2011 Oct; 135(13):134318. PubMed ID: 21992316
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Stabilisation energy of C(6)H(6)...C(6)X(6) (X = F, Cl, Br, I, CN) complexes: complete basis set limit calculations at MP2 and CCSD(T) levels.
    Pluhácková K; Jurecka P; Hobza P
    Phys Chem Chem Phys; 2007 Feb; 9(6):755-60. PubMed ID: 17268688
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Ab initio and density functional theory reinvestigation of gas-phase sulfuric acid monohydrate and ammonium hydrogen sulfate.
    Kurtén T; Sundberg MR; Vehkamäki H; Noppel M; Blomqvist J; Kulmala M
    J Phys Chem A; 2006 Jun; 110(22):7178-88. PubMed ID: 16737269
    [TBL] [Abstract][Full Text] [Related]  

  • 12. An accurate and efficient computational protocol for obtaining the complete basis set limits of the binding energies of water clusters at the MP2 and CCSD(T) levels of theory: Application to (H2O)m, m = 2-6, 8, 11, 16, and 17.
    Miliordos E; Xantheas SS
    J Chem Phys; 2015 Jun; 142(23):234303. PubMed ID: 26093555
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Isomers of the uracil dimer: an ab initio benchmark study.
    Frey JA; Müller A; Losada M; Leutwyler S
    J Phys Chem B; 2007 Apr; 111(13):3534-42. PubMed ID: 17388514
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Extrapolating MP2 and CCSD explicitly correlated correlation energies to the complete basis set limit with first and second row correlation consistent basis sets.
    Hill JG; Peterson KA; Knizia G; Werner HJ
    J Chem Phys; 2009 Nov; 131(19):194105. PubMed ID: 19929044
    [TBL] [Abstract][Full Text] [Related]  

  • 15. High-level ab initio calculations for the four low-lying families of minima of (H2O)20. II. Spectroscopic signatures of the dodecahedron, fused cubes, face-sharing pentagonal prisms, and edge-sharing pentagonal prisms hydrogen bonding networks.
    Fanourgakis GS; Aprà E; de Jong WA; Xantheas SS
    J Chem Phys; 2005 Apr; 122(13):134304. PubMed ID: 15847462
    [TBL] [Abstract][Full Text] [Related]  

  • 16. An ab initio benchmark study of hydrogen bonded formamide dimers.
    Frey JA; Leutwyler S
    J Phys Chem A; 2006 Nov; 110(45):12512-8. PubMed ID: 17091957
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Intrinsic conformational preferences of substituted cyclohexanes and tetrahydropyrans evaluated at the CCSD(T) complete basis set limit: implications for the anomeric effect.
    Weldon AJ; Vickrey TL; Tschumper GS
    J Phys Chem A; 2005 Dec; 109(48):11073-9. PubMed ID: 16331953
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Quantum chemical calculations of the Cl- + CH3I --> CH3Cl + I- potential energy surface.
    Zhang J; Lourderaj U; Addepalli SV; de Jong WA; Hase WL
    J Phys Chem A; 2009 Mar; 113(10):1976-84. PubMed ID: 19115824
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Structure and binding energy of the H
    Lemke KH
    J Chem Phys; 2017 Jun; 146(23):234301. PubMed ID: 28641437
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Highly accurate CCSD(T) and DFT-SAPT stabilization energies of H-bonded and stacked structures of the uracil dimer.
    Pitonák M; Riley KE; Neogrády P; Hobza P
    Chemphyschem; 2008 Aug; 9(11):1636-44. PubMed ID: 18574830
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 11.