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 *

120 related articles for article (PubMed ID: 37591004)

  • 1. Nonempirical Range-Separated Hybrid Functional with Spatially Dependent Screened Exchange.
    Zhan J; Govoni M; Galli G
    J Chem Theory Comput; 2023 Sep; 19(17):5851-5862. PubMed ID: 37591004
    [TBL] [Abstract][Full Text] [Related]  

  • 2. 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]  

  • 3. Solid-state performance of a meta-GGA screened hybrid density functional constructed from Pauli kinetic enhancement factor dependent semilocal exchange hole.
    Jana S; Constantin LA; Śmiga S; Samal P
    J Chem Phys; 2022 Jul; 157(2):024102. PubMed ID: 35840391
    [TBL] [Abstract][Full Text] [Related]  

  • 4. 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]  

  • 5. Screened hybrid meta-GGA exchange-correlation functionals for extended systems.
    Jana S; Samal P
    Phys Chem Chem Phys; 2019 Feb; 21(6):3002-3015. PubMed ID: 30672528
    [TBL] [Abstract][Full Text] [Related]  

  • 6. 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]  

  • 7. A meta-GGA level screened range-separated hybrid functional by employing short range Hartree-Fock with a long range semilocal functional.
    Jana S; Samal P
    Phys Chem Chem Phys; 2018 Mar; 20(13):8999-9005. PubMed ID: 29537011
    [TBL] [Abstract][Full Text] [Related]  

  • 8. A theoretical study on solvatofluorochromic asymmetric thiazolothiazole (TTz) dyes using dielectric-dependent density functional theory.
    Shimazaki T; Tachikawa M
    Phys Chem Chem Phys; 2021 Sep; 23(37):21078-21086. PubMed ID: 34523637
    [TBL] [Abstract][Full Text] [Related]  

  • 9. 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]  

  • 10. Shedding Light on the Accuracy of Optimally Tuned Range-Separated Approximations for Evaluating Oxidation Potentials.
    Alipour M; Mohseni S
    J Phys Chem A; 2017 Jun; 121(21):4189-4201. PubMed ID: 28513157
    [TBL] [Abstract][Full Text] [Related]  

  • 11. 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]  

  • 12. Screened range-separated hybrid by balancing the compact and slowly varying density regimes: Satisfaction of local density linear response.
    Jana S; Patra A; Constantin LA; Samal P
    J Chem Phys; 2020 Jan; 152(4):044111. PubMed ID: 32007058
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Outer-valence Electron Spectra of Prototypical Aromatic Heterocycles from an Optimally Tuned Range-Separated Hybrid Functional.
    Egger DA; Weissman S; Refaely-Abramson S; Sharifzadeh S; Dauth M; Baer R; Kümmel S; Neaton JB; Zojer E; Kronik L
    J Chem Theory Comput; 2014 May; 10(5):1934-1952. PubMed ID: 24839410
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Faster Exact Exchange for Solids via occ-RI-K: Application to Combinatorially Optimized Range-Separated Hybrid Functionals for Simple Solids with Pseudopotentials Near the Basis Set Limit.
    Lee J; Rettig A; Feng X; Epifanovsky E; Head-Gordon M
    J Chem Theory Comput; 2022 Dec; 18(12):7336-7349. PubMed ID: 36459992
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Using Nonempirical Semilocal Density Functionals and Empirical Dispersion Corrections to Model Dative Bonding in Substituted Boranes.
    Janesko BG
    J Chem Theory Comput; 2010 Jun; 6(6):1825-33. PubMed ID: 26615842
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Doubly Screened Hybrid Functional: An Accurate First-Principles Approach for Both Narrow- and Wide-Gap Semiconductors.
    Cui ZH; Wang YC; Zhang MY; Xu X; Jiang H
    J Phys Chem Lett; 2018 May; 9(9):2338-2345. PubMed ID: 29669414
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Efficient hybrid density functional calculations in solids: assessment of the Heyd-Scuseria-Ernzerhof screened Coulomb hybrid functional.
    Heyd J; Scuseria GE
    J Chem Phys; 2004 Jul; 121(3):1187-92. PubMed ID: 15260659
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Local Hybrid Density Functional for Interfaces.
    Borlido P; Marques MAL; Botti S
    J Chem Theory Comput; 2018 Feb; 14(2):939-947. PubMed ID: 29227686
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Accurate Semilocal Density Functional for Condensed-Matter Physics and Quantum Chemistry.
    Tao J; Mo Y
    Phys Rev Lett; 2016 Aug; 117(7):073001. PubMed ID: 27563956
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Semilocal Exchange Energy Functional for Two-Dimensional Quantum Systems: A Step Beyond Generalized Gradient Approximations.
    Jana S; Samal P
    J Phys Chem A; 2017 Jun; 121(25):4804-4811. PubMed ID: 28581752
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.