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 *

149 related articles for article (PubMed ID: 30444365)

  • 1. Fundamental Gaps of Condensed-Phase Organic Semiconductors from Single-Molecule Calculations using Polarization-Consistent Optimally Tuned Screened Range-Separated Hybrid Functionals.
    Bhandari S; Cheung MS; Geva E; Kronik L; Dunietz BD
    J Chem Theory Comput; 2018 Dec; 14(12):6287-6294. PubMed ID: 30444365
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Screened Range-Separated Hybrid Functional with Polarizable Continuum Model Overcomes Challenges in Describing Triplet Excitations in the Condensed Phase Using TDDFT.
    Begam K; Bhandari S; Maiti B; Dunietz BD
    J Chem Theory Comput; 2020 May; 16(5):3287-3293. PubMed ID: 32309951
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Solvent Dependent Nuclear Magnetic Resonance Molecular Parameters Based on a Polarization Consistent Screened Range Separated Hybrid Density Functional Theory Framework.
    Begam K; Cohen L; Goobes G; Dunietz BD
    J Chem Theory Comput; 2022 Sep; 18(9):5259-5266. PubMed ID: 35929782
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Quantitative Accuracy in Calculating Charge Transfer State Energies in Solvated Molecular Complexes Using a Screened Range Separated Hybrid Functional within a Polarized Continuum Model.
    Bhandari S; Dunietz BD
    J Chem Theory Comput; 2019 Aug; 15(8):4305-4311. PubMed ID: 31356067
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Quantitative Prediction of Optical Absorption in Molecular Solids from an Optimally Tuned Screened Range-Separated Hybrid Functional.
    Manna AK; Refaely-Abramson S; Reilly AM; Tkatchenko A; Neaton JB; Kronik L
    J Chem Theory Comput; 2018 Jun; 14(6):2919-2929. PubMed ID: 29727172
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Screened optimally tuned range separated hybrid functional for solvated low bandgap molecular systems.
    Dantas Filho RV; de Queiroz TB
    J Chem Phys; 2024 Jul; 161(3):. PubMed ID: 39007381
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Effect of Solid-State Polarization on Charge-Transfer Excitations and Transport Levels at Organic Interfaces from a Screened Range-Separated Hybrid Functional.
    Zheng Z; Egger DA; Brédas JL; Kronik L; Coropceanu V
    J Phys Chem Lett; 2017 Jul; 8(14):3277-3283. PubMed ID: 28666085
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Singlet fission relevant energetics from optimally tuned range-separated hybrids.
    Alipour M; Safari Z
    Phys Chem Chem Phys; 2020 Dec; 22(46):27060-27076. PubMed ID: 33215617
    [TBL] [Abstract][Full Text] [Related]  

  • 9. 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]  

  • 10. 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]  

  • 11. Electronic Spectra of C
    Chakravarty C; Aksu H; Maiti B; Dunietz BD
    J Phys Chem A; 2021 Sep; 125(35):7625-7632. PubMed ID: 34448570
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Tuned range separated hybrid functionals for solvated low bandgap oligomers.
    de Queiroz TB; Kümmel S
    J Chem Phys; 2015 Jul; 143(3):034101. PubMed ID: 26203008
    [TBL] [Abstract][Full Text] [Related]  

  • 13. On the Performance of Optimally Tuned Range-Separated Hybrid Functionals for X-ray Absorption Modeling.
    do Couto PC; Hollas D; Slavíček P
    J Chem Theory Comput; 2015 Jul; 11(7):3234-44. PubMed ID: 26575760
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Electronic Structure of Multicomponent Organic Molecular Materials: Evaluation of Range-Separated Hybrid Functionals.
    Cho E; Coropceanu V; Brédas JL
    J Chem Theory Comput; 2020 Jun; 16(6):3712-3719. PubMed ID: 32338893
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Excited-state properties of organic semiconductor dyes as electrically pumped lasing candidates from new optimally tuned range-separated models.
    Alipour M; Damiri S
    Phys Chem Chem Phys; 2022 Mar; 24(13):8003-8014. PubMed ID: 35315460
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Description of the Charge Transfer States at the Pentacene/C60 Interface: Combining Range-Separated Hybrid Functionals with the Polarizable Continuum Model.
    Zheng Z; Brédas JL; Coropceanu V
    J Phys Chem Lett; 2016 Jul; 7(13):2616-21. PubMed ID: 27338105
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Dielectric Screening Meets Optimally Tuned Density Functionals.
    Kronik L; Kümmel S
    Adv Mater; 2018 Oct; 30(41):e1706560. PubMed ID: 29665112
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Beyond Koopmans' theorem: electron binding energies in disordered materials.
    Muchová E; Slavíček P
    J Phys Condens Matter; 2019 Jan; 31(4):043001. PubMed ID: 30524069
    [TBL] [Abstract][Full Text] [Related]  

  • 19. 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]  

  • 20. Optimal Tuning of Range-Separated Hybrids for Solvated Molecules with Time-Dependent Density Functional Theory.
    Rubešová M; Muchová E; Slavíček P
    J Chem Theory Comput; 2017 Oct; 13(10):4972-4983. PubMed ID: 28873301
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.