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 *

394 related articles for article (PubMed ID: 25536412)

  • 21. Benchmarking density functional methods against the S66 and S66x8 datasets for non-covalent interactions.
    Goerigk L; Kruse H; Grimme S
    Chemphyschem; 2011 Dec; 12(17):3421-33. PubMed ID: 22113958
    [TBL] [Abstract][Full Text] [Related]  

  • 22. 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]  

  • 23. Functional derivatives of meta-generalized gradient approximation (meta-GGA) type exchange-correlation density functionals.
    Zahariev F; Leang SS; Gordon MS
    J Chem Phys; 2013 Jun; 138(24):244108. PubMed ID: 23822228
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Properties of real metallic surfaces: Effects of density functional semilocality and van der Waals nonlocality.
    Patra A; Bates JE; Sun J; Perdew JP
    Proc Natl Acad Sci U S A; 2017 Oct; 114(44):E9188-E9196. PubMed ID: 29042509
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Van der Waals Interactions in Density-Functional Theory: Rare-Gas Diatomics.
    Kannemann FO; Becke AD
    J Chem Theory Comput; 2009 Apr; 5(4):719-27. PubMed ID: 26609577
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Assessment of density functionals and paucity of non-covalent interactions in aminoylyne complexes of molybdenum and tungsten [(η(5)-C5H5)(CO)2M≡EN(SiMe3)(R)] (E = Si, Ge, Sn, Pb): a dispersion-corrected DFT study.
    Pandey KK; Patidar P; Bariya PK; Patidar SK; Vishwakarma R
    Dalton Trans; 2014 Jul; 43(26):9955-67. PubMed ID: 24850167
    [TBL] [Abstract][Full Text] [Related]  

  • 27. A revised electronic Hessian for approximate time-dependent density functional theory.
    Ziegler T; Seth M; Krykunov M; Autschbach J
    J Chem Phys; 2008 Nov; 129(18):184114. PubMed ID: 19045393
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Oscillations in meta-generalized-gradient approximation potential energy surfaces for dispersion-bound complexes.
    Johnson ER; Becke AD; Sherrill CD; DiLabio GA
    J Chem Phys; 2009 Jul; 131(3):034111. PubMed ID: 19624185
    [TBL] [Abstract][Full Text] [Related]  

  • 29. How critical are the van der Waals interactions in polymer crystals?
    Liu CS; Pilania G; Wang C; Ramprasad R
    J Phys Chem A; 2012 Sep; 116(37):9347-52. PubMed ID: 22937808
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Performance of the Empirical Dispersion Corrections to Density Functional Theory: Thermodynamics of Hydrocarbon Isomerizations and Olefin Monomer Insertion Reactions.
    Shamov GA; Budzelaar PH; Schreckenbach G
    J Chem Theory Comput; 2010 Feb; 6(2):477-90. PubMed ID: 26617303
    [TBL] [Abstract][Full Text] [Related]  

  • 31. On the accuracy of frozen density embedding calculations with hybrid and orbital-dependent functionals for non-bonded interaction energies.
    Laricchia S; Fabiano E; Della Sala F
    J Chem Phys; 2012 Jul; 137(1):014102. PubMed ID: 22779632
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Exact kinetic energy enables accurate evaluation of weak interactions by the FDE-vdW method.
    Sinha D; Pavanello M
    J Chem Phys; 2015 Aug; 143(8):084120. PubMed ID: 26328831
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Interaction energies in hydrogen-bonded systems: a testing ground for subsystem formulation of density-functional theory.
    Kevorkyants R; Dulak M; Wesolowski TA
    J Chem Phys; 2006 Jan; 124(2):024104. PubMed ID: 16422568
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Binding energy curves from nonempirical density functionals II. van der Waals bonds in rare-gas and alkaline-earth diatomics.
    Ruzsinszky A; Perdew JP; Csonka GI
    J Phys Chem A; 2005 Dec; 109(48):11015-21. PubMed ID: 16331945
    [TBL] [Abstract][Full Text] [Related]  

  • 35. On the errors of local density (LDA) and generalized gradient (GGA) approximations to the Kohn-Sham potential and orbital energies.
    Gritsenko OV; Mentel ŁM; Baerends EJ
    J Chem Phys; 2016 May; 144(20):204114. PubMed ID: 27250286
    [TBL] [Abstract][Full Text] [Related]  

  • 36. 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]  

  • 37. Dispersion Interactions with Density-Functional Theory: Benchmarking Semiempirical and Interatomic Pairwise Corrected Density Functionals.
    Marom N; Tkatchenko A; Rossi M; Gobre VV; Hod O; Scheffler M; Kronik L
    J Chem Theory Comput; 2011 Dec; 7(12):3944-51. PubMed ID: 26598340
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Subsystem density-functional theory for interacting open-shell systems: spin densities and magnetic exchange couplings.
    Massolle A; Neugebauer J
    Faraday Discuss; 2020 Dec; 224(0):201-226. PubMed ID: 33000819
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Protein-ligand interaction energies with dispersion corrected density functional theory and high-level wave function based methods.
    Antony J; Grimme S; Liakos DG; Neese F
    J Phys Chem A; 2011 Oct; 115(41):11210-20. PubMed ID: 21842894
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Effects of density functionals and dispersion interactions on geometries, bond energies and harmonic frequencies of EUX3 (E=N, P, CH; X=H, F, Cl).
    Pandey KK; Patidar P; Patidar SK; Vishwakarma R
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Dec; 133():846-55. PubMed ID: 25014545
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 20.