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 *

112 related articles for article (PubMed ID: 37955590)

  • 1. Do Optimally Tuned Range-Separated Hybrid Functionals Require a Reparametrization of the Dispersion Correction? It Depends.
    Friede M; Ehlert S; Grimme S; Mewes JM
    J Chem Theory Comput; 2023 Nov; 19(22):8097-8107. PubMed ID: 37955590
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Minimally Empirical Double-Hybrid Functionals Trained against the GMTKN55 Database: revDSD-PBEP86-D4, revDOD-PBE-D4, and DOD-SCAN-D4.
    Santra G; Sylvetsky N; Martin JML
    J Phys Chem A; 2019 Jun; 123(24):5129-5143. PubMed ID: 31136709
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Electronic Band Shapes Calculated with Optimally Tuned Range-Separated Hybrid Functionals.
    Moore B; Charaf-Eddin A; Planchat A; Adamo C; Autschbach J; Jacquemin D
    J Chem Theory Comput; 2014 Oct; 10(10):4599-608. PubMed ID: 26588153
    [TBL] [Abstract][Full Text] [Related]  

  • 4. A new tuned range-separated density functional for the accurate calculation of second hyperpolarizabilities.
    Besalú-Sala P; Sitkiewicz SP; Salvador P; Matito E; Luis JM
    Phys Chem Chem Phys; 2020 Jun; 22(21):11871-11880. PubMed ID: 32441724
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Benchmarking DFT Functionals for Excited-State Calculations of Donor-Acceptor TADF Emitters: Insights on the Key Parameters Determining Reverse Inter-System Crossing.
    Hall D; Sancho-García JC; Pershin A; Beljonne D; Zysman-Colman E; Olivier Y
    J Phys Chem A; 2023 Jun; 127(21):4743-4757. PubMed ID: 37196185
    [TBL] [Abstract][Full Text] [Related]  

  • 6. 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]  

  • 7. 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]  

  • 8. Dissecting the ingredients of optimally tuned range-separated hybrid models for reliable description of non-adiabatic couplings.
    Izadkhast T; Alipour M
    J Chem Phys; 2023 Jul; 159(2):. PubMed ID: 37428048
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Analysis of Recent BLYP- and PBE-Based Range-Separated Double-Hybrid Density Functional Approximations for Main-Group Thermochemistry, Kinetics, and Noncovalent Interactions.
    Najibi A; Casanova-Páez M; Goerigk L
    J Phys Chem A; 2021 May; 125(18):4026-4035. PubMed ID: 33938224
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Noncovalently bound excited-state dimers: a perspective on current time-dependent density functional theory approaches applied to aromatic excimer models.
    Hancock AC; Goerigk L
    RSC Adv; 2022 Apr; 12(21):13014-13034. PubMed ID: 35520129
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Performance of the Empirical Dispersion Corrections to Density Functional Theory: Thermodynamics of Hydrocarbon Isomerizations and Olefin Monomer Insertion Reactions.
    Shamov GA; Budzelaar PH; Schreckenbach G
    J Chem Theory Comput; 2010 Feb; 6(2):477-90. PubMed ID: 26617303
    [TBL] [Abstract][Full Text] [Related]  

  • 12. 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]  

  • 13. Unveiling the role of short-range exact-like exchange in the optimally tuned range-separated hybrids for fluorescence lifetime modeling.
    Alipour M; Damiri S
    J Chem Phys; 2020 May; 152(20):204301. PubMed ID: 32486652
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Stability of Hydrocarbons of the Polyhedrane Family Containing Bridged CH Groups: A Case of Failure of the Colle-Salvetti Correlation Density Functionals.
    Shamov GA; Schreckenbach G; Budzelaar PH
    J Chem Theory Comput; 2010 Nov; 6(11):3442-55. PubMed ID: 26617096
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Benchmark and performance of long-range corrected time-dependent density functional tight binding (LC-TD-DFTB) on rhodopsins and light-harvesting complexes.
    Bold BM; Sokolov M; Maity S; Wanko M; Dohmen PM; Kranz JJ; Kleinekathöfer U; Höfener S; Elstner M
    Phys Chem Chem Phys; 2020 May; 22(19):10500-10518. PubMed ID: 31950960
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Dipole moments of molecules with multi-reference character from optimally tuned range-separated density functional theory.
    Alipour M
    J Comput Chem; 2018 Jul; 39(20):1508-1516. PubMed ID: 29635817
    [TBL] [Abstract][Full Text] [Related]  

  • 17. 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]  

  • 18. 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]  

  • 19. Non-covalent interactions and thermochemistry using XDM-corrected hybrid and range-separated hybrid density functionals.
    Otero-de-la-Roza A; Johnson ER
    J Chem Phys; 2013 May; 138(20):204109. PubMed ID: 23742456
    [TBL] [Abstract][Full Text] [Related]  

  • 20. On combining the conductor-like screening model and optimally tuned range-separated hybrid density functionals.
    Sachse T; Martínez TJ; Presselt M
    J Chem Phys; 2019 May; 150(17):174117. PubMed ID: 31067895
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.