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 *

118 related articles for article (PubMed ID: 38099547)

  • 1. 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]  

  • 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. 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]  

  • 4. 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]  

  • 5. Application to nonlinear optical properties of the RSX-QIDH double-hybrid range-separated functional.
    Rodríguez-Mayorga M; Besalú-Sala P; Pérez-Jiménez ÁJ; Sancho-García JC
    J Comput Chem; 2024 May; 45(13):995-1001. PubMed ID: 38206899
    [TBL] [Abstract][Full Text] [Related]  

  • 6. 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]  

  • 7. Range-Separated Double-Hybrid Functional from Nonempirical Constraints.
    Brémond É; Savarese M; Pérez-Jiménez ÁJ; Sancho-García JC; Adamo C
    J Chem Theory Comput; 2018 Aug; 14(8):4052-4062. PubMed ID: 29923721
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Determining the role of the underlying orbital-dependence of PBE0-DH and PBE-QIDH double-hybrid density functionals.
    Sancho-García JC; Pérez-Jiménez ÁJ; Savarese M; Brémond É; Adamo C
    J Comput Chem; 2017 Jun; 38(17):1509-1514. PubMed ID: 28394021
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Quadratic integrand double-hybrid made spin-component-scaled.
    Brémond É; Savarese M; Sancho-García JC; Pérez-Jiménez ÁJ; Adamo C
    J Chem Phys; 2016 Mar; 144(12):124104. PubMed ID: 27036424
    [TBL] [Abstract][Full Text] [Related]  

  • 10. 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]  

  • 11. 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]  

  • 12. Assessing challenging intra- and inter-molecular charge-transfer excitations energies with double-hybrid density functionals.
    Brémond É; Ottochian A; Pérez-Jiménez ÁJ; Ciofini I; Scalmani G; Frisch MJ; Sancho-García JC; Adamo C
    J Comput Chem; 2021 May; 42(14):970-981. PubMed ID: 33748983
    [TBL] [Abstract][Full Text] [Related]  

  • 13. 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]  

  • 14. Assessment of the nonempirical r2SCAN-QIDH double-hybrid density functional against large and diverse datasets.
    Brémond E; Rodríguez-Mayorga M; Pérez-Jiménez AJ; Adamo C; Sancho-García JC
    J Chem Phys; 2023 Oct; 159(14):. PubMed ID: 37811824
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Communication: double-hybrid functionals from adiabatic-connection: the QIDH model.
    Brémond É; Sancho-García JC; Pérez-Jiménez ÁJ; Adamo C
    J Chem Phys; 2014 Jul; 141(3):031101. PubMed ID: 25053294
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Double Hybrids and Noncovalent Interactions: How Far Can We Go?
    Brémond E; Li H; Sancho-García JC; Adamo C
    J Phys Chem A; 2022 Apr; 126(16):2590-2599. PubMed ID: 35438491
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Spin-Component-Scaled Double-Hybrid Density Functionals with Nonlocal van der Waals Correlations for Noncovalent Interactions.
    Yu F
    J Chem Theory Comput; 2014 Oct; 10(10):4400-7. PubMed ID: 26588137
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Communication: Accurate description of interaction energies and three-body effects in weakly bound molecular complexes by PBE-QIDH models.
    Pérez-Jiménez AJ; Brémond E; Adamo C; Sancho-García JC
    J Chem Phys; 2018 Jul; 149(4):041101. PubMed ID: 30068200
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Range-separated hybrid density functionals made simple.
    Brémond É; Pérez-Jiménez ÁJ; Sancho-García JC; Adamo C
    J Chem Phys; 2019 May; 150(20):201102. PubMed ID: 31153220
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Density functionals with broad applicability in chemistry.
    Zhao Y; Truhlar DG
    Acc Chem Res; 2008 Feb; 41(2):157-67. PubMed ID: 18186612
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.