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 *

247 related articles for article (PubMed ID: 35168336)

  • 1. Do any types of double-hybrid models render the correct order of excited state energies in inverted singlet-triplet emitters?
    Alipour M; Izadkhast T
    J Chem Phys; 2022 Feb; 156(6):064302. PubMed ID: 35168336
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Violation of Hund's rule in molecules: Predicting the excited-state energy inversion by TD-DFT with double-hybrid methods.
    Sancho-García JC; Brémond E; Ricci G; Pérez-Jiménez AJ; Olivier Y; Adamo C
    J Chem Phys; 2022 Jan; 156(3):034105. PubMed ID: 35065561
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Time-Dependent Long-Range-Corrected Double-Hybrid Density Functionals with Spin-Component and Spin-Opposite Scaling: A Comprehensive Analysis of Singlet-Singlet and Singlet-Triplet Excitation Energies.
    Casanova-Páez M; Goerigk L
    J Chem Theory Comput; 2021 Aug; 17(8):5165-5186. PubMed ID: 34291643
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Dissecting the accountability of parameterized and parameter-free single-hybrid and double-hybrid functionals for photophysical properties of TADF-based OLEDs.
    Alipour M; Karimi N
    J Chem Phys; 2017 Jun; 146(23):234304. PubMed ID: 28641443
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Spin-Opposite-Scaled Range-Separated Exchange Double-Hybrid Models (SOS-RSX-DHs): Marriage Between DH and RSX/SOS-RSX Is Not Always a Happy Match.
    Alipour M; Karimi N
    J Chem Theory Comput; 2021 Jul; 17(7):4077-4091. PubMed ID: 34085815
    [TBL] [Abstract][Full Text] [Related]  

  • 6. SOS1-RSX-QIDH: A spin-opposite-scaled range-separated-exchange quadratic-integrand double-hybrid density functional.
    Brémond É; Pérez-Jiménez ÁJ; Sancho-García JC; Adamo C
    J Chem Phys; 2023 Dec; 159(23):. PubMed ID: 38099547
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Assessing Recent Time-Dependent Double-Hybrid Density Functionals on Doublet-Doublet Excitations.
    Van Dijk J; Casanova-Páez M; Goerigk L
    ACS Phys Chem Au; 2022 Sep; 2(5):407-416. PubMed ID: 36855692
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Excitation energies of polycylic aromatic hydrocarbons by double-hybrid functionals: Assessing the PBE0-DH and PBE-QIDH models and their range-separated versions.
    Sandoval-Salinas ME; Brémond E; Pérez-Jiménez AJ; Adamo C; Sancho-García JC
    J Chem Phys; 2023 Jan; 158(4):044105. PubMed ID: 36725511
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Appraising spin-state energetics in transition metal complexes using double-hybrid models: accountability of SOS0-PBESCAN0-2(a) as a promising paradigm.
    Alipour M; Izadkhast T
    Phys Chem Chem Phys; 2020 May; 22(17):9388-9404. PubMed ID: 32309838
    [TBL] [Abstract][Full Text] [Related]  

  • 10. How do spin-scaled double hybrids designed for excitation energies perform for noncovalent excited-state interactions? An investigation on aromatic excimer models.
    Hancock AC; Giudici E; Goerigk L
    J Comput Chem; 2024 Jul; 45(19):1667-1681. PubMed ID: 38553847
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Delayed fluorescence from inverted singlet and triplet excited states.
    Aizawa N; Pu YJ; Harabuchi Y; Nihonyanagi A; Ibuka R; Inuzuka H; Dhara B; Koyama Y; Nakayama KI; Maeda S; Araoka F; Miyajima D
    Nature; 2022 Sep; 609(7927):502-506. PubMed ID: 36104553
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Reliable Prediction with Tuned Range-Separated Functionals of the Singlet-Triplet Gap in Organic Emitters for Thermally Activated Delayed Fluorescence.
    Sun H; Zhong C; Brédas JL
    J Chem Theory Comput; 2015 Aug; 11(8):3851-8. PubMed ID: 26574466
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Organic molecules with inverted singlet-triplet gaps.
    Li J; Li Z; Liu H; Gong H; Zhang J; Yao Y; Guo Q
    Front Chem; 2022; 10():999856. PubMed ID: 36092667
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Origin of the Failure of Density Functional Theories in Predicting Inverted Singlet-Triplet Gaps.
    Ghosh S; Bhattacharyya K
    J Phys Chem A; 2022 Mar; 126(8):1378-1385. PubMed ID: 35147428
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Scaled second-order perturbation corrections to configuration interaction singles: efficient and reliable excitation energy methods.
    Rhee YM; Head-Gordon M
    J Phys Chem A; 2007 Jun; 111(24):5314-26. PubMed ID: 17521172
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Symmetry-Induced Singlet-Triplet Inversions in Non-Alternant Hydrocarbons.
    Terence Blaskovits J; Garner MH; Corminboeuf C
    Angew Chem Int Ed Engl; 2023 Apr; 62(15):e202218156. PubMed ID: 36786076
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Building on the strengths of a double-hybrid density functional for excitation energies and inverted singlet-triplet energy gaps.
    Curtis K; Adeyiga O; Suleiman O; Odoh SO
    J Chem Phys; 2023 Jan; 158(2):024116. PubMed ID: 36641391
    [TBL] [Abstract][Full Text] [Related]  

  • 18. On the origin of the inverted singlet-triplet gap of the 5th generation light-emitting molecules.
    Tučková L; Straka M; Valiev RR; Sundholm D
    Phys Chem Chem Phys; 2022 Aug; 24(31):18713-18721. PubMed ID: 35899835
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Seeking for Spin-Opposite-Scaled Double-Hybrid Models Free of Fitted Parameters.
    Alipour M
    J Phys Chem A; 2016 May; 120(20):3726-30. PubMed ID: 27163506
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Toward highly efficient hyperfluorescence-based emitters through excited-states alignment using novel optimally tuned range-separated models.
    Alipour M; Izadkhast T
    Phys Chem Chem Phys; 2022 Oct; 24(38):23718-23736. PubMed ID: 36155689
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 13.