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 *

259 related articles for article (PubMed ID: 23361567)

  • 1. Accuracy of density functional theory in the prediction of carbon dioxide adsorbent materials.
    Cazorla C; Shevlin SA
    Dalton Trans; 2013 Apr; 42(13):4670-6. PubMed ID: 23361567
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Theoretical thermodynamics for large molecules: walking the thin line between accuracy and computational cost.
    Schwabe T; Grimme S
    Acc Chem Res; 2008 Apr; 41(4):569-79. PubMed ID: 18324790
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Van der Waals interactions between hydrocarbon molecules and zeolites: periodic calculations at different levels of theory, from density functional theory to the random phase approximation and Møller-Plesset perturbation theory.
    Göltl F; Grüneis A; Bučko T; Hafner J
    J Chem Phys; 2012 Sep; 137(11):114111. PubMed ID: 22998253
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Proceedings of the Second Workshop on Theory meets Industry (Erwin-Schrödinger-Institute (ESI), Vienna, Austria, 12-14 June 2007).
    Hafner J
    J Phys Condens Matter; 2008 Feb; 20(6):060301. PubMed ID: 21693862
    [TBL] [Abstract][Full Text] [Related]  

  • 5. 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]  

  • 6. 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]  

  • 7. Embedded correlated wavefunction schemes: theory and applications.
    Libisch F; Huang C; Carter EA
    Acc Chem Res; 2014 Sep; 47(9):2768-75. PubMed ID: 24873211
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Double-hybrid density functional theory for excited electronic states of molecules.
    Grimme S; Neese F
    J Chem Phys; 2007 Oct; 127(15):154116. PubMed ID: 17949141
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Accurate prediction of the electronic properties of low-dimensional graphene derivatives using a screened hybrid density functional.
    Barone V; Hod O; Peralta JE; Scuseria GE
    Acc Chem Res; 2011 Apr; 44(4):269-79. PubMed ID: 21388164
    [TBL] [Abstract][Full Text] [Related]  

  • 10. 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]  

  • 11. Embedded cluster density functional and second-order Møller-Plesset perturbation theory study on the adsorption of N2 on the rutile (110) surface.
    Stodt D; Hättig C
    J Chem Phys; 2012 Sep; 137(11):114705. PubMed ID: 22998279
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Minimizing density functional failures for non-covalent interactions beyond van der Waals complexes.
    Corminboeuf C
    Acc Chem Res; 2014 Nov; 47(11):3217-24. PubMed ID: 24655016
    [TBL] [Abstract][Full Text] [Related]  

  • 13. The extended Perdew-Burke-Ernzerhof functional with improved accuracy for thermodynamic and electronic properties of molecular systems.
    Xu X; Goddard WA
    J Chem Phys; 2004 Sep; 121(9):4068-82. PubMed ID: 15332952
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Rationale for switching to nonlocal functionals in density functional theory.
    Lazić P; Atodiresei N; Caciuc V; Brako R; Gumhalter B; Blügel S
    J Phys Condens Matter; 2012 Oct; 24(42):424215. PubMed ID: 23032957
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Metal-phosphine bond strengths of the transition metals: a challenge for DFT.
    Minenkov Y; Occhipinti G; Jensen VR
    J Phys Chem A; 2009 Oct; 113(43):11833-44. PubMed ID: 19736907
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Analytic derivatives for perturbatively corrected "double hybrid" density functionals: theory, implementation, and applications.
    Neese F; Schwabe T; Grimme S
    J Chem Phys; 2007 Mar; 126(12):124115. PubMed ID: 17411116
    [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. Performance of molecular orbital methods and density functional theory in the computation of geometries and energies of metal aqua ions.
    Rotzinger FP
    J Phys Chem B; 2005 Feb; 109(4):1510-27. PubMed ID: 16851123
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Doping-enhanced hyperpolarizabilities of silicon clusters: a global ab initio and density functional theory study of Si10 (Li, Na, K)n (n=1, 2) clusters.
    Karamanis P; Marchal R; Carbonniére P; Pouchan C
    J Chem Phys; 2011 Jul; 135(4):044511. PubMed ID: 21806142
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Semiempirical double-hybrid density functional with improved description of long-range correlation.
    Benighaus T; DiStasio RA; Lochan RC; Chai JD; Head-Gordon M
    J Phys Chem A; 2008 Mar; 112(12):2702-12. PubMed ID: 18318517
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 13.