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 *

357 related articles for article (PubMed ID: 26584371)

  • 1. Benchmarking of Density Functionals for the Accurate Description of Thiol-Disulfide Exchange.
    Neves RP; Fernandes PA; Varandas AJ; Ramos MJ
    J Chem Theory Comput; 2014 Nov; 10(11):4842-56. PubMed ID: 26584371
    [TBL] [Abstract][Full Text] [Related]  

  • 2. The DBH24/08 Database and Its Use to Assess Electronic Structure Model Chemistries for Chemical Reaction Barrier Heights.
    Zheng J; Zhao Y; Truhlar DG
    J Chem Theory Comput; 2009 Apr; 5(4):808-21. PubMed ID: 26609587
    [TBL] [Abstract][Full Text] [Related]  

  • 3. 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]  

  • 4. Zn Coordination Chemistry:  Development of Benchmark Suites for Geometries, Dipole Moments, and Bond Dissociation Energies and Their Use To Test and Validate Density Functionals and Molecular Orbital Theory.
    Amin EA; Truhlar DG
    J Chem Theory Comput; 2008 Jan; 4(1):75-85. PubMed ID: 26619981
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Assessment of the accuracy of density functionals for prediction of relative energies and geometries of low-lying isomers of water hexamers.
    Dahlke EE; Olson RM; Leverentz HR; Truhlar DG
    J Phys Chem A; 2008 May; 112(17):3976-84. PubMed ID: 18393474
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Unrestricted prescriptions for open-shell singlet diradicals: using economical ab initio and density functional theory to calculate singlet-triplet gaps and bond dissociation curves.
    Ess DH; Cook TC
    J Phys Chem A; 2012 May; 116(20):4922-9. PubMed ID: 22578025
    [TBL] [Abstract][Full Text] [Related]  

  • 7. 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]  

  • 8. Accurate description of intermolecular interactions involving ions using symmetry-adapted perturbation theory.
    Lao KU; Schäffer R; Jansen G; Herbert JM
    J Chem Theory Comput; 2015 Jun; 11(6):2473-86. PubMed ID: 26575547
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Intermolecular potentials of the methane dimer calculated with Møller-Plesset perturbation theory and density functional theory.
    Li AH; Chao SD
    J Chem Phys; 2006 Sep; 125(9):094312. PubMed ID: 16965085
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Structural and relative energy assessments of DFT functionals and the MP2 method to describe the gas phase methylation of nitronates: [R(1)R(2)CNO2](-) + CH3I.
    Mahmood A; Longo RL
    Phys Chem Chem Phys; 2016 Jun; 18(25):17062-70. PubMed ID: 27299164
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Evaluation of B3LYP, X3LYP, and M06-Class Density Functionals for Predicting the Binding Energies of Neutral, Protonated, and Deprotonated Water Clusters.
    Bryantsev VS; Diallo MS; van Duin AC; Goddard WA
    J Chem Theory Comput; 2009 Apr; 5(4):1016-26. PubMed ID: 26609610
    [TBL] [Abstract][Full Text] [Related]  

  • 12. The MC-DFT approach including the SCS-MP2 energies to the new Minnesota-type functionals.
    Liu PC; Hu WP
    J Comput Chem; 2014 Aug; 35(21):1560-7. PubMed ID: 24923999
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Density functionals with broad applicability in chemistry.
    Zhao Y; Truhlar DG
    Acc Chem Res; 2008 Feb; 41(2):157-67. PubMed ID: 18186612
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Performance of Density Functionals for Activation Energies of Zr-Mediated Reactions.
    Sun Y; Chen H
    J Chem Theory Comput; 2013 Nov; 9(11):4735-43. PubMed ID: 26583392
    [TBL] [Abstract][Full Text] [Related]  

  • 15. 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]  

  • 16. 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]  

  • 17. 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]  

  • 18. 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]  

  • 19. 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]  

  • 20. Is It Possible To Obtain Coupled Cluster Quality Energies at near Density Functional Theory Cost? Domain-Based Local Pair Natural Orbital Coupled Cluster vs Modern Density Functional Theory.
    Liakos DG; Neese F
    J Chem Theory Comput; 2015 Sep; 11(9):4054-63. PubMed ID: 26575901
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 18.