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 *

105 related articles for article (PubMed ID: 26615924)

  • 1. Assessment of DFT and DFT-D for Potential Energy Surfaces of Rare Gas Trimers-Implementation and Analysis of Functionals and Extrapolation Procedures.
    Peverati R; Macrina M; Baldridge KK
    J Chem Theory Comput; 2010 Jul; 6(7):1951-65. PubMed ID: 26615924
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Appropriate description of intermolecular interactions in the methane hydrates: an assessment of DFT methods.
    Liu Y; Zhao J; Li F; Chen Z
    J Comput Chem; 2013 Jan; 34(2):121-31. PubMed ID: 22949382
    [TBL] [Abstract][Full Text] [Related]  

  • 3. A geometrical correction for the inter- and intra-molecular basis set superposition error in Hartree-Fock and density functional theory calculations for large systems.
    Kruse H; Grimme S
    J Chem Phys; 2012 Apr; 136(15):154101. PubMed ID: 22519309
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Suitability of double hybrid density functionals and their dispersion-corrected counterparts in producing the potential energy curves for CO2-Rg (Rg: He, Ne, Ar and Kr) systems.
    Seal P; Chakrabarti S
    J Phys Chem A; 2009 Feb; 113(7):1377-83. PubMed ID: 19146440
    [TBL] [Abstract][Full Text] [Related]  

  • 5. 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]  

  • 6. Calculations on noncovalent interactions and databases of benchmark interaction energies.
    Hobza P
    Acc Chem Res; 2012 Apr; 45(4):663-72. PubMed ID: 22225511
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Achieving the CCSD(T) Basis-Set Limit in Sizable Molecular Clusters: Counterpoise Corrections for the Many-Body Expansion.
    Richard RM; Lao KU; Herbert JM
    J Phys Chem Lett; 2013 Aug; 4(16):2674-80. PubMed ID: 26706713
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. Extrapolation and Scaling of the DFT-SAPT Interaction Energies toward the Basis Set Limit.
    Řezáč J; Hobza P
    J Chem Theory Comput; 2011 Mar; 7(3):685-9. PubMed ID: 26596299
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Effective empirical corrections for basis set superposition error in the def2-SVPD basis: gCP and DFT-C.
    Witte J; Neaton JB; Head-Gordon M
    J Chem Phys; 2017 Jun; 146(23):234105. PubMed ID: 28641421
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Intermolecular potentials of the silane dimer calculated with Hartree-Fock theory, Møller-Plesset perturbation theory, and density functional theory.
    Pai CC; Li AH; Chao SD
    J Phys Chem A; 2007 Nov; 111(46):11922-9. PubMed ID: 17963367
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Density functional theory based study of molecular interactions, recognition, engineering, and quantum transport in π molecular systems.
    Cho Y; Cho WJ; Youn IS; Lee G; Singh NJ; Kim KS
    Acc Chem Res; 2014 Nov; 47(11):3321-30. PubMed ID: 25338296
    [TBL] [Abstract][Full Text] [Related]  

  • 13. 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]  

  • 14. 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]  

  • 15. A DFT and ab initio benchmarking study of metal-alkane interactions and the activation of carbon-hydrogen bonds.
    Flener-Lovitt C; Woon DE; Dunning TH; Girolami GS
    J Phys Chem A; 2010 Feb; 114(4):1843-51. PubMed ID: 20043689
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Density functional theory study of the interaction of vinyl radical, ethyne, and ethene with benzene, aimed to define an affordable computational level to investigate stability trends in large van der Waals complexes.
    Maranzana A; Giordana A; Indarto A; Tonachini G; Barone V; Causà M; Pavone M
    J Chem Phys; 2013 Dec; 139(24):244306. PubMed ID: 24387369
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Accurate calculation and modeling of the adiabatic connection in density functional theory.
    Teale AM; Coriani S; Helgaker T
    J Chem Phys; 2010 Apr; 132(16):164115. PubMed ID: 20441266
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Approaching the complete-basis limit with a truncated many-body expansion.
    Richard RM; Lao KU; Herbert JM
    J Chem Phys; 2013 Dec; 139(22):224102. PubMed ID: 24329051
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Molecular potential energies in dodecahedron cell of methane hydrate and dispersion correction for DFT.
    Du QS; Li DP; Liu PJ; Huang RB
    J Mol Graph Model; 2008 Sep; 27(2):140-6. PubMed ID: 18485767
    [TBL] [Abstract][Full Text] [Related]  

  • 20. 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]  

    [Next]    [New Search]
    of 6.