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 *

167 related articles for article (PubMed ID: 27711664)

  • 1. Application of the dielectric-dependent screened exchange potential approach to organic photocell materials.
    Shimazaki T; Nakajima T
    Phys Chem Chem Phys; 2016 Oct; 18(39):27554-27563. PubMed ID: 27711664
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Comparison of DFT methods for molecular orbital eigenvalue calculations.
    Zhang G; Musgrave CB
    J Phys Chem A; 2007 Mar; 111(8):1554-61. PubMed ID: 17279730
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Theoretical study of a screened Hartree-Fock exchange potential using position-dependent atomic dielectric constants.
    Shimazaki T; Nakajima T
    J Chem Phys; 2015 Feb; 142(7):074109. PubMed ID: 25702004
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Energy band structure calculations based on screened Hartree-Fock exchange method: Si, AlP, AlAs, GaP, and GaAs.
    Shimazaki T; Asai Y
    J Chem Phys; 2010 Jun; 132(22):224105. PubMed ID: 20550388
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Polarization consistent dielectric screening in polarizable continuum model calculations of solvation energies.
    Khatri R; Dunietz BD
    J Chem Phys; 2023 Aug; 159(7):. PubMed ID: 37594067
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Assessing the role of Hartree-Fock exchange, correlation energy and long range corrections in evaluating ionization potential, and electron affinity in density functional theory.
    Vikramaditya T; Lin ST
    J Comput Chem; 2017 Jun; 38(21):1844-1852. PubMed ID: 28497501
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Dielectric-dependent screened Hartree-Fock exchange potential and Slater-formula with Coulomb-hole interaction for energy band structure calculations.
    Shimazaki T; Nakajima T
    J Chem Phys; 2014 Sep; 141(11):114109. PubMed ID: 25240347
    [TBL] [Abstract][Full Text] [Related]  

  • 8. First principles band structure calculations based on self-consistent screened Hartree-Fock exchange potential.
    Shimazaki T; Asai Y
    J Chem Phys; 2009 Apr; 130(16):164702. PubMed ID: 19405611
    [TBL] [Abstract][Full Text] [Related]  

  • 9. DFT results against experimental data for electronic properties of C
    Rostami Z; Hosseinian A; Monfared A
    J Mol Graph Model; 2018 May; 81():60-67. PubMed ID: 29525510
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Unveiling the impact of exchange-correlation functionals on the description of key electronic properties of non-fullerene acceptors in organic photovoltaics.
    Franco LR; Marchiori C; Araujo CM
    J Chem Phys; 2023 Nov; 159(20):. PubMed ID: 38018752
    [TBL] [Abstract][Full Text] [Related]  

  • 11. A density functional study on dielectric properties of acrylic acid grafted polypropylene.
    Ruuska H; Arola E; Kortelainen T; Rantala TT; Kannus K; Valkealahti S
    J Chem Phys; 2011 Apr; 134(13):134904. PubMed ID: 21476771
    [TBL] [Abstract][Full Text] [Related]  

  • 12. On the organic energy gap problem.
    Flores F; Abad E; Martínez JI; Pieczyrak B; Ortega J
    J Phys Condens Matter; 2013 Mar; 25(9):094007. PubMed ID: 23400106
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Orbital energies and negative electron affinities from density functional theory: Insight from the integer discontinuity.
    Teale AM; De Proft F; Tozer DJ
    J Chem Phys; 2008 Jul; 129(4):044110. PubMed ID: 18681637
    [TBL] [Abstract][Full Text] [Related]  

  • 14. 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]  

  • 15. Relationship between orbital energy gaps and excitation energies for long-chain systems.
    Tsuneda T; Singh RK; Nakata A
    J Comput Chem; 2016 Jun; 37(16):1451-62. PubMed ID: 27010365
    [TBL] [Abstract][Full Text] [Related]  

  • 16. 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]  

  • 17. 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]  

  • 18. 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]  

  • 19. The Kohn-Sham gap, the fundamental gap and the optical gap: the physical meaning of occupied and virtual Kohn-Sham orbital energies.
    Baerends EJ; Gritsenko OV; van Meer R
    Phys Chem Chem Phys; 2013 Oct; 15(39):16408-25. PubMed ID: 24002107
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Ground-State Charge Transfer: Lithium-Benzene and the Role of Hartree-Fock Exchange.
    Borca CH; Slipchenko LV; Wasserman A
    J Phys Chem A; 2016 Oct; 120(41):8190-8198. PubMed ID: 27661445
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.