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 *

178 related articles for article (PubMed ID: 28641004)

  • 21. The GW-Method for Quantum Chemistry Applications: Theory and Implementation.
    van Setten MJ; Weigend F; Evers F
    J Chem Theory Comput; 2013 Jan; 9(1):232-46. PubMed ID: 26589026
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Kohn-Sham band gaps and potentials of solids from the optimised effective potential method within the random phase approximation.
    Klimeš J; Kresse G
    J Chem Phys; 2014 Feb; 140(5):054516. PubMed ID: 24511961
    [TBL] [Abstract][Full Text] [Related]  

  • 23. GW and Bethe-Salpeter study of small water clusters.
    Blase X; Boulanger P; Bruneval F; Fernandez-Serra M; Duchemin I
    J Chem Phys; 2016 Jan; 144(3):034109. PubMed ID: 26801022
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Defect formation energies without the band-gap problem: combining density-functional theory and the GW approach for the silicon self-interstitial.
    Rinke P; Janotti A; Scheffler M; Van de Walle CG
    Phys Rev Lett; 2009 Jan; 102(2):026402. PubMed ID: 19257298
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Electronic and optical properties of pristine, N- and S-doped water-covered TiO
    Kenmoe S; Lisovski O; Piskunov S; Zhukovskii YF; Spohr E
    J Chem Phys; 2019 Jan; 150(4):041714. PubMed ID: 30709322
    [TBL] [Abstract][Full Text] [Related]  

  • 26. 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]  

  • 27. A theoretical study on the electronic structures of TiO2: Effect of Hartree-Fock exchange.
    Zhang YF; Lin W; Li Y; Ding KN; Li JQ
    J Phys Chem B; 2005 Oct; 109(41):19270-7. PubMed ID: 16853489
    [TBL] [Abstract][Full Text] [Related]  

  • 28. G0W0 band structure of CdWO4.
    Laasner R
    J Phys Condens Matter; 2014 Mar; 26(12):125503. PubMed ID: 24599225
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Statistical analysis of the performance of a variety of first-principles schemes for accurate prediction of binary semiconductor band gaps.
    Abedi S; Tarighi Ahmadpour M; Baninajarian S; Kahnouji H; Hashemifar SJ; Han ZK; Levchenko SV
    J Chem Phys; 2023 May; 158(18):. PubMed ID: 37158329
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Approximating Quasiparticle and Excitation Energies from Ground State Generalized Kohn-Sham Calculations.
    Mei Y; Li C; Su NQ; Yang W
    J Phys Chem A; 2019 Jan; 123(3):666-673. PubMed ID: 30589546
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Benchmarking the Fundamental Electronic Properties of small TiO
    Berardo E; Kaplan F; Bhaskaran-Nair K; Shelton WA; van Setten MJ; Kowalski K; Zwijnenburg MA
    J Chem Theory Comput; 2017 Aug; 13(8):3814-3828. PubMed ID: 28628314
    [TBL] [Abstract][Full Text] [Related]  

  • 32. All-electron GW quasiparticle band structures of group 14 nitride compounds.
    Chu IH; Kozhevnikov A; Schulthess TC; Cheng HP
    J Chem Phys; 2014 Jul; 141(4):044709. PubMed ID: 25084939
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Accurate band gaps and dielectric properties from one-electron theories (abstract only).
    Kresse G; Shishkin M; Marsman M; Paier J
    J Phys Condens Matter; 2008 Feb; 20(6):064203. PubMed ID: 21693865
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Performance of a modified hybrid functional in the simultaneous description of stoichiometric and reduced TiO2 polymorphs.
    Ko KC; Lamiel-García O; Lee JY; Illas F
    Phys Chem Chem Phys; 2016 Apr; 18(17):12357-67. PubMed ID: 27087546
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Implementation and Validation of Fully Relativistic GW Calculations: Spin-Orbit Coupling in Molecules, Nanocrystals, and Solids.
    Scherpelz P; Govoni M; Hamada I; Galli G
    J Chem Theory Comput; 2016 Aug; 12(8):3523-44. PubMed ID: 27331614
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Density functionals from many-body perturbation theory: the band gap for semiconductors and insulators.
    Grüning M; Marini A; Rubio A
    J Chem Phys; 2006 Apr; 124(15):154108. PubMed ID: 16674219
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Theoretical Modeling of Electronic Excitations of Gas-Phase and Solvated TiO
    Valero R; Morales-García Á; Illas F
    J Chem Theory Comput; 2018 Aug; 14(8):4391-4404. PubMed ID: 30011198
    [TBL] [Abstract][Full Text] [Related]  

  • 38. When Anatase Nanoparticles Become Bulklike: Properties of Realistic TiO
    Lamiel-Garcia O; Ko KC; Lee JY; Bromley ST; Illas F
    J Chem Theory Comput; 2017 Apr; 13(4):1785-1793. PubMed ID: 28230983
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Multinary I-III-VI2 and I2-II-IV-VI4 Semiconductor Nanostructures for Photocatalytic Applications.
    Regulacio MD; Han MY
    Acc Chem Res; 2016 Mar; 49(3):511-9. PubMed ID: 26864703
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Electronic structure of BN-aromatics: Choice of reliable computational tools.
    Mazière A; Chrostowska A; Darrigan C; Dargelos A; Graciaa A; Chermette H
    J Chem Phys; 2017 Oct; 147(16):164306. PubMed ID: 29096486
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 9.