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 *

250 related articles for article (PubMed ID: 26515122)

  • 21. Difficulties of Popular Density Functionals to Describe the Conformational Isomerism in Iodoacetic Acid.
    Wagner JP
    J Phys Chem A; 2020 Jul; 124(27):5570-5579. PubMed ID: 32564603
    [TBL] [Abstract][Full Text] [Related]  

  • 22. DFT Variants for Mixed-Metal Oxides. Benchmarks Using Multi-Center Cluster Models.
    Rugg G; Genest A; Rösch N
    J Phys Chem A; 2018 Sep; 122(35):7042-7050. PubMed ID: 30141334
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Effect of van der Waals interactions on the chemisorption and physisorption of phenol and phenoxy on metal surfaces.
    Peköz R; Donadio D
    J Chem Phys; 2016 Sep; 145(10):104701. PubMed ID: 27634269
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Calculations of solid-state
    Holmes ST; Bai S; Iuliucci RJ; Mueller KT; Dybowski C
    J Comput Chem; 2017 May; 38(13):949-956. PubMed ID: 28233952
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Evaluation of the Performance of the B3LYP, PBE0, and M06 DFT Functionals, and DBLOC-Corrected Versions, in the Calculation of Redox Potentials and Spin Splittings for Transition Metal Containing Systems.
    Coskun D; Jerome SV; Friesner RA
    J Chem Theory Comput; 2016 Mar; 12(3):1121-8. PubMed ID: 26808695
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Determining the role of the underlying orbital-dependence of PBE0-DH and PBE-QIDH double-hybrid density functionals.
    Sancho-García JC; Pérez-Jiménez ÁJ; Savarese M; Brémond É; Adamo C
    J Comput Chem; 2017 Jun; 38(17):1509-1514. PubMed ID: 28394021
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Reinvestigating oxygen adsorption on Ag(111) by using strongly constrained and appropriately normed semi-local density functional with the revised Vydrov van Voorhis van der Waals force correction.
    Hinsch JJ; Liu J; Wang Y
    J Chem Phys; 2021 Dec; 155(23):234704. PubMed ID: 34937376
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Diffusion Barriers for Carbon Monoxide on the Cu(001) Surface Using Many-Body Perturbation Theory and Various Density Functionals.
    Wei Z; Göltl F; Sautet P
    J Chem Theory Comput; 2021 Dec; 17(12):7862-7872. PubMed ID: 34812624
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Influence of Van der Waals Interactions on the Solvation Energies of Adsorbates at Pt-Based Electrocatalysts.
    Granda-Marulanda LP; Builes S; Koper MTM; Calle-Vallejo F
    Chemphyschem; 2019 Nov; 20(22):2968-2972. PubMed ID: 31348598
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Assessing cathode property prediction
    Long OY; Sai Gautam G; Carter EA
    Phys Chem Chem Phys; 2021 Nov; 23(43):24726-24737. PubMed ID: 34709240
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Evaluating Minnesota 2006 density functionals against some challenging problems in DFT.
    Ebadi A; Noei M
    J Mol Model; 2017 Feb; 23(2):38. PubMed ID: 28120121
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Benchmarking DFT and semi-empirical methods for a reliable and cost-efficient computational screening of benzofulvene derivatives as donor materials for small-molecule organic solar cells.
    Tortorella S; Talamo MM; Cardone A; Pastore M; De Angelis F
    J Phys Condens Matter; 2016 Feb; 28(7):074005. PubMed ID: 26808717
    [TBL] [Abstract][Full Text] [Related]  

  • 33. vdW-DF-ahcx: a range-separated van der Waals density functional hybrid.
    Shukla V; Jiao Y; Frostenson CM; Hyldgaard P
    J Phys Condens Matter; 2021 Nov; 34(2):. PubMed ID: 34584024
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Theoretical study of the adsorption of benzene on coinage metals.
    Reckien W; Eggers M; Bredow T
    Beilstein J Org Chem; 2014; 10():1775-84. PubMed ID: 25161736
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Jacob's Ladder as Sketched by Escher: Assessing the Performance of Broadly Used Density Functionals on Transition Metal Surface Properties.
    Vega L; Ruvireta J; Viñes F; Illas F
    J Chem Theory Comput; 2018 Jan; 14(1):395-403. PubMed ID: 29182868
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Effects of van der Waals Interactions in the Adsorption of Isooctane and Ethanol on Fe(100) Surfaces.
    Bedolla PO; Feldbauer G; Wolloch M; Eder SJ; Dörr N; Mohn P; Redinger J; Vernes A
    J Phys Chem C Nanomater Interfaces; 2014 Aug; 118(31):17608-17615. PubMed ID: 25126156
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Comparative study of density functionals for the description of lithium-graphite intercalation compounds.
    Lenchuk O; Adelhelm P; Mollenhauer D
    J Comput Chem; 2019 Oct; 40(27):2400-2412. PubMed ID: 31254474
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Toward Accurate Adsorption Energetics on Clay Surfaces.
    Zen A; Roch LM; Cox SJ; Hu XL; Sorella S; Alfè D; Michaelides A
    J Phys Chem C Nanomater Interfaces; 2016 Nov; 120(46):26402-26413. PubMed ID: 27917256
    [TBL] [Abstract][Full Text] [Related]  

  • 39. In search of the best DFT functional for dealing with organic anionic species.
    Borioni JL; Puiatti M; Vera DM; Pierini AB
    Phys Chem Chem Phys; 2017 Mar; 19(13):9189-9198. PubMed ID: 28317981
    [TBL] [Abstract][Full Text] [Related]  

  • 40. A comparative test of different density functionals for calculations of NH
    Chen L; Janssens TVW; Grönbeck H
    Phys Chem Chem Phys; 2019 Jun; 21(21):10923-10930. PubMed ID: 31089628
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 13.