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 *

160 related articles for article (PubMed ID: 38485448)

  • 1. Ultrafast Computational Screening of Molecules with Inverted Singlet-Triplet Energy Gaps Using the Pariser-Parr-Pople Semiempirical Quantum Chemistry Method.
    Jorner K; Pollice R; Lavigne C; Aspuru-Guzik A
    J Phys Chem A; 2024 Mar; 128(12):2445-2456. PubMed ID: 38485448
    [TBL] [Abstract][Full Text] [Related]  

  • 2. 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]  

  • 3. Shining Light on Inverted Singlet-Triplet Emitters.
    Bedogni M; Giavazzi D; Di Maiolo F; Painelli A
    J Chem Theory Comput; 2024 Jan; 20(2):902-913. PubMed ID: 37992126
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Pariser-Parr-Pople model based investigation of ground and low-lying excited states of long acenes.
    Chakraborty H; Shukla A
    J Phys Chem A; 2013 Dec; 117(51):14220-9. PubMed ID: 24308558
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Excitation energy calculation of conjugated hydrocarbons: a new Pariser-Parr-Pople model parameterization approaching CASPT2 accuracy.
    Zhang D; Qu Z; Liu C; Jiang Y
    J Chem Phys; 2011 Jan; 134(2):024114. PubMed ID: 21241087
    [TBL] [Abstract][Full Text] [Related]  

  • 6. 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]  

  • 7. Double-bond delocalization in non-alternant hydrocarbons induces inverted singlet-triplet gaps.
    Garner MH; Blaskovits JT; Corminboeuf C
    Chem Sci; 2023 Oct; 14(38):10458-10466. PubMed ID: 37800005
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Singlet and Triplet Excited State Energy Ordering in Cyclopenta-Fused Polycyclic Aromatic Hydrocarbons (CP-PAHs) Suitable for Energy Harvesting: An Exact Model and TDDFT Study.
    Naskar S; Das M
    ACS Omega; 2017 May; 2(5):1795-1803. PubMed ID: 31457543
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Low-lying excited states in armchair polyacene within Pariser-Parr-Pople model: a density matrix renormalization group study.
    Das M
    J Chem Phys; 2014 Mar; 140(12):124317. PubMed ID: 24697451
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Correlated Electronic States of a Few Polycyclic Aromatic Hydrocarbons: A Computational Study.
    Giri G; Pati YA; Ramasesha S
    J Phys Chem A; 2019 Jun; 123(25):5257-5265. PubMed ID: 31058503
    [TBL] [Abstract][Full Text] [Related]  

  • 11. 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]  

  • 12. Computational Discovery of TTF Molecules with Deep Generative Models.
    Yakubovich A; Odinokov A; Nikolenko S; Jung Y; Choi H
    Front Chem; 2021; 9():800133. PubMed ID: 35004615
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Low-Lying Excited States in Thiophene-Based Cyclic Molecule Suitable for Optoelectronics: A Density Matrix Renormalization Group Study.
    Das M
    ACS Omega; 2018 Sep; 3(9):12253-12259. PubMed ID: 31459300
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Identification of Unknown Inverted Singlet-Triplet Cores by High-Throughput Virtual Screening.
    Omar ÖH; Xie X; Troisi A; Padula D
    J Am Chem Soc; 2023 Sep; 145(36):19790-19799. PubMed ID: 37639703
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Role of the Dark 2A
    Ren J; Peng Q; Zhang X; Yi Y; Shuai Z
    J Phys Chem Lett; 2017 May; 8(10):2175-2181. PubMed ID: 28459584
    [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. The inverted singlet-triplet gap: a vanishing myth?
    Dreuw A; Hoffmann M
    Front Chem; 2023; 11():1239604. PubMed ID: 37577065
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Thermally Activated Delayed Fluorescence (TADF) Path toward Efficient Electroluminescence in Purely Organic Materials: Molecular Level Insight.
    Chen XK; Kim D; Brédas JL
    Acc Chem Res; 2018 Sep; 51(9):2215-2224. PubMed ID: 30141908
    [TBL] [Abstract][Full Text] [Related]  

  • 19. "Triplet-excited region" in polyene oligomers revisited: Pariser-Parr-Pople model studied with the density matrix renormalization group method.
    Ma H; Liu C; Jiang Y
    J Chem Phys; 2004 May; 120(19):9316-20. PubMed ID: 15267868
    [TBL] [Abstract][Full Text] [Related]  

  • 20. 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]  

    [Next]    [New Search]
    of 8.