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 *

116 related articles for article (PubMed ID: 33317276)

  • 1. The Hubbard-U correction and optical properties of d
    Brown JJ; Page AJ
    J Chem Phys; 2020 Dec; 153(22):224116. PubMed ID: 33317276
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Reaction pathways in the solid state and the Hubbard U correction.
    Brown JJ; Page AJ
    J Chem Phys; 2021 Mar; 154(12):124121. PubMed ID: 33810657
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Ab Initio Study of the Atomic Level Structure of the Rutile TiO
    Gutiérrez Moreno JJ; Nolan M
    ACS Appl Mater Interfaces; 2017 Nov; 9(43):38089-38100. PubMed ID: 28937740
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Influence of Metal Oxide Particles on Bandgap of 1D Photocatalysts Based on SrTiO
    Sultanov F; Daulbayev C; Azat S; Kuterbekov K; Bekmyrza K; Bakbolat B; Bigaj M; Mansurov Z
    Nanomaterials (Basel); 2020 Sep; 10(9):. PubMed ID: 32882871
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Oxygen vacancy in ZnO-
    Vrubel II; Pervishko AA; Yudin D; Sanyal B; Eriksson O; Rodnyi PA
    J Phys Condens Matter; 2020 May; 32(31):. PubMed ID: 32224510
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Structural and Electronic Properties of Bulk ZnX (X = O, S, Se, Te), ZnF
    Flores EM; Moreira ML; Piotrowski MJ
    J Phys Chem A; 2020 May; 124(19):3778-3785. PubMed ID: 32329619
    [TBL] [Abstract][Full Text] [Related]  

  • 7. GW quasiparticle bandgaps of anatase TiO2 starting from DFT + U.
    Patrick CE; Giustino F
    J Phys Condens Matter; 2012 May; 24(20):202201. PubMed ID: 22510587
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Communication: improving the density functional theory+U description of CeO2 by including the contribution of the O 2p electrons.
    Plata JJ; Márquez AM; Sanz JF
    J Chem Phys; 2012 Jan; 136(4):041101. PubMed ID: 22299851
    [TBL] [Abstract][Full Text] [Related]  

  • 9. DFT+U calculations of crystal lattice, electronic structure, and phase stability under pressure of TiO2 polymorphs.
    Arroyo-de Dompablo ME; Morales-García A; Taravillo M
    J Chem Phys; 2011 Aug; 135(5):054503. PubMed ID: 21823708
    [TBL] [Abstract][Full Text] [Related]  

  • 10. First-principles Hubbard U approach for small molecule binding in metal-organic frameworks.
    Mann GW; Lee K; Cococcioni M; Smit B; Neaton JB
    J Chem Phys; 2016 May; 144(17):174104. PubMed ID: 27155622
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Electronic and magnetic properties of Ti(2)O(3), Cr(2)O(3), and Fe(2)O(3) calculated by the screened exchange hybrid density functional.
    Guo Y; Clark SJ; Robertson J
    J Phys Condens Matter; 2012 Aug; 24(32):325504, 1-8. PubMed ID: 22809821
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Density functional theory calculations of dense TiO2 polymorphs: implication for visible-light-responsive photocatalysts.
    Kuo MY; Chen CL; Hua CY; Yang HC; Shen P
    J Phys Chem B; 2005 May; 109(18):8693-700. PubMed ID: 16852029
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Comparing GGA, GGA+U, and meta-GGA functionals for redox-dependent binding at open metal sites in metal-organic frameworks.
    Rosen AS; Notestein JM; Snurr RQ
    J Chem Phys; 2020 Jun; 152(22):224101. PubMed ID: 32534539
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Electronic Structure and Band Alignments of Various Phases of Titania Using the Self-Consistent Hybrid Density Functional and DFT+
    Kim WJ; Han MH; Lebègue S; Lee EK; Kim H
    Front Chem; 2019; 7():47. PubMed ID: 30792978
    [TBL] [Abstract][Full Text] [Related]  

  • 15. DFT+U in Dudarev's formulation with corrected interactions between the electrons with opposite spins: The form of Hamiltonian, calculation of forces, and bandgap adjustments.
    Shishkin M; Sato H
    J Chem Phys; 2019 Jul; 151(2):024102. PubMed ID: 31301721
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Time-dependent density functional study of the electronic potential energy curves and excitation spectrum of the oxygen molecule.
    Guan J; Wang F; Ziegler T; Cox H
    J Chem Phys; 2006 Jul; 125(4):44314. PubMed ID: 16942149
    [TBL] [Abstract][Full Text] [Related]  

  • 17. 4f fine-structure levels as the dominant error in the electronic structures of binary lanthanide oxides.
    Huang B
    J Comput Chem; 2016 Apr; 37(9):825-35. PubMed ID: 26666512
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Local screened Coulomb correction approach to strongly correlated d-electron systems.
    Wang YC; Jiang H
    J Chem Phys; 2019 Apr; 150(15):154116. PubMed ID: 31005122
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Density Functional Theory Calculations of Structural, Electronic, and Magnetic Properties of the 3d Metal Trifluorides MF
    Mattsson S; Paulus B
    J Comput Chem; 2019 Apr; 40(11):1190-1197. PubMed ID: 30697774
    [TBL] [Abstract][Full Text] [Related]  

  • 20. A comparative first-principles investigation on the defect chemistry of TiO
    Arrigoni M; Madsen GKH
    J Chem Phys; 2020 Jan; 152(4):044110. PubMed ID: 32007033
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.