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 *

176 related articles for article (PubMed ID: 28891806)

  • 1. Hybrid-DFT  +  V
    Ivády V; Gali A; Abrikosov IA
    J Phys Condens Matter; 2017 Nov; 29(45):454002. PubMed ID: 28891806
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Organic electronic materials: recent advances in the DFT description of the ground and excited states using tuned range-separated hybrid functionals.
    Körzdörfer T; Brédas JL
    Acc Chem Res; 2014 Nov; 47(11):3284-91. PubMed ID: 24784485
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Ensemble density variational methods with self- and ghost-interaction-corrected functionals.
    Pastorczak E; Pernal K
    J Chem Phys; 2014 May; 140(18):18A514. PubMed ID: 24832322
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Band Gap of 3D Metal Oxides and Quasi-2D Materials from Hybrid Density Functional Theory: Are Dielectric-Dependent Functionals Superior?
    Das T; Di Liberto G; Tosoni S; Pacchioni G
    J Chem Theory Comput; 2019 Nov; 15(11):6294-6312. PubMed ID: 31614082
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Fundamental gaps with approximate density functionals: the derivative discontinuity revealed from ensemble considerations.
    Kraisler E; Kronik L
    J Chem Phys; 2014 May; 140(18):18A540. PubMed ID: 24832348
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Parallel implementation of Γ-point pseudopotential plane-wave DFT with exact exchange.
    Bylaska EJ; Tsemekhman K; Baden SB; Weare JH; Jonsson H
    J Comput Chem; 2011 Jan; 32(1):54-69. PubMed ID: 20607748
    [TBL] [Abstract][Full Text] [Related]  

  • 7. 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]  

  • 8. Combined hybrid functional and DFT+U calculations for metal chalcogenides.
    Aras M; Kılıç C
    J Chem Phys; 2014 Jul; 141(4):044106. PubMed ID: 25084880
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Spectroscopic properties of doped and defective semiconducting oxides from hybrid density functional calculations.
    Di Valentin C; Pacchioni G
    Acc Chem Res; 2014 Nov; 47(11):3233-41. PubMed ID: 24828320
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Study of intrinsic defects in 3C-SiC using first-principles calculation with a hybrid functional.
    Oda T; Zhang Y; Weber WJ
    J Chem Phys; 2013 Sep; 139(12):124707. PubMed ID: 24089795
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Assessing model-dielectric-dependent hybrid functionals on the antiferromagnetic transition-metal monoxides MnO, FeO, CoO, and NiO.
    Liu P; Franchini C; Marsman M; Kresse G
    J Phys Condens Matter; 2020 Jan; 32(1):015502. PubMed ID: 31484169
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Excitation Gaps of Finite-Sized Systems from Optimally Tuned Range-Separated Hybrid Functionals.
    Kronik L; Stein T; Refaely-Abramson S; Baer R
    J Chem Theory Comput; 2012 May; 8(5):1515-31. PubMed ID: 26593646
    [TBL] [Abstract][Full Text] [Related]  

  • 13. 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]  

  • 14. Comparative studies of the spectroscopy of CuCl2: DFT versus standard ab initio approaches.
    Ramírez-Solís A; Poteau R; Vela A; Daudey JP
    J Chem Phys; 2005 Apr; 122(16):164306. PubMed ID: 15945683
    [TBL] [Abstract][Full Text] [Related]  

  • 15. On the performance of local, semilocal, and nonlocal exchange-correlation functionals on transition metal molecules.
    Ramírez-Solís A
    J Chem Phys; 2007 Jun; 126(22):224105. PubMed ID: 17581042
    [TBL] [Abstract][Full Text] [Related]  

  • 16. The role of electron localization in the atomic structure of transition-metal 13-atom clusters: the example of Co13, Rh13, and Hf13.
    Piotrowski MJ; Piquini P; Cândido L; Da Silva JL
    Phys Chem Chem Phys; 2011 Oct; 13(38):17242-8. PubMed ID: 21879054
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Role of exact exchange in thermally-assisted-occupation density functional theory: A proposal of new hybrid schemes.
    Chai JD
    J Chem Phys; 2017 Jan; 146(4):044102. PubMed ID: 28147520
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Cationic and anionic vacancies on the NiO(100) surface: DFT+U and hybrid functional density functional theory calculations.
    Ferrari AM; Pisani C; Cinquini F; Giordano L; Pacchioni G
    J Chem Phys; 2007 Nov; 127(17):174711. PubMed ID: 17994846
    [TBL] [Abstract][Full Text] [Related]  

  • 19. First-principles calculations of hematite (α-Fe
    Naveas N; Pulido R; Marini C; Hernández-Montelongo J; Silván MM
    iScience; 2023 Feb; 26(2):106033. PubMed ID: 36824287
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Orbital localization error of density functional theory in shear properties of vanadium and niobium.
    Wang YX; Geng HY; Wu Q; Chen XR
    J Chem Phys; 2020 Jan; 152(2):024118. PubMed ID: 31941306
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.