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 *

356 related articles for article (PubMed ID: 29624392)

  • 1. Self-Interaction Error in Density Functional Theory: An Appraisal.
    Bao JL; Gagliardi L; Truhlar DG
    J Phys Chem Lett; 2018 May; 9(9):2353-2358. PubMed ID: 29624392
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Ground-state actinide chemistry with scalar-relativistic multiconfiguration pair-density functional theory.
    Adeyiga O; Suleiman O; Dandu NK; Odoh SO
    J Chem Phys; 2019 Oct; 151(13):134102. PubMed ID: 31594337
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Multiconfiguration Pair-Density Functional Theory Is Free From Delocalization Error.
    Bao JL; Wang Y; He X; Gagliardi L; Truhlar DG
    J Phys Chem Lett; 2017 Nov; 8(22):5616-5620. PubMed ID: 29090926
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Multiconfiguration Pair-Density Functional Theory Outperforms Kohn-Sham Density Functional Theory and Multireference Perturbation Theory for Ground-State and Excited-State Charge Transfer.
    Ghosh S; Sonnenberger AL; Hoyer CE; Truhlar DG; Gagliardi L
    J Chem Theory Comput; 2015 Aug; 11(8):3643-9. PubMed ID: 26574447
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Multiconfiguration Pair-Density Functional Theory Spectral Calculations Are Stable to Adding Diffuse Basis Functions.
    Hoyer CE; Gagliardi L; Truhlar DG
    J Phys Chem Lett; 2015 Nov; 6(21):4184-8. PubMed ID: 26722961
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Multiconfiguration Pair-Density Functional Theory: A New Way To Treat Strongly Correlated Systems.
    Gagliardi L; Truhlar DG; Li Manni G; Carlson RK; Hoyer CE; Bao JL
    Acc Chem Res; 2017 Jan; 50(1):66-73. PubMed ID: 28001359
    [TBL] [Abstract][Full Text] [Related]  

  • 7. A New Mixing of Nonlocal Exchange and Nonlocal Correlation with Multiconfiguration Pair-Density Functional Theory.
    Pandharkar R; Hermes MR; Truhlar DG; Gagliardi L
    J Phys Chem Lett; 2020 Dec; 11(23):10158-10163. PubMed ID: 33196208
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Multiconfiguration Pair-Density Functional Theory.
    Li Manni G; Carlson RK; Luo S; Ma D; Olsen J; Truhlar DG; Gagliardi L
    J Chem Theory Comput; 2014 Sep; 10(9):3669-80. PubMed ID: 26588512
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Application of Multiconfiguration Pair-Density Functional Theory to the Diels-Alder Reaction.
    Mitchell EC; Scott TR; Bao JJ; Truhlar DG
    J Phys Chem A; 2022 Dec; 126(47):8834-8843. PubMed ID: 36383502
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Correlated-Participating-Orbitals Pair-Density Functional Method and Application to Multiplet Energy Splittings of Main-Group Divalent Radicals.
    Bao JL; Sand A; Gagliardi L; Truhlar DG
    J Chem Theory Comput; 2016 Sep; 12(9):4274-83. PubMed ID: 27438755
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Multiconfiguration pair-density functional theory: barrier heights and main group and transition metal energetics.
    Carlson RK; Li Manni G; Sonnenberger AL; Truhlar DG; Gagliardi L
    J Chem Theory Comput; 2015 Jan; 11(1):82-90. PubMed ID: 26574206
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Variational Pair-Density Functional Theory: Dealing with Strong Correlation at the Protein Scale.
    Scott M; Rodrigues GLS; Li X; Delcey MG
    J Chem Theory Comput; 2024 Mar; 20(6):2423-2432. PubMed ID: 38217859
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Electronic structure of strongly correlated systems: recent developments in multiconfiguration pair-density functional theory and multiconfiguration nonclassical-energy functional theory.
    Zhou C; Hermes MR; Wu D; Bao JJ; Pandharkar R; King DS; Zhang D; Scott TR; Lykhin AO; Gagliardi L; Truhlar DG
    Chem Sci; 2022 Jul; 13(26):7685-7706. PubMed ID: 35865899
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Shrinking Self-Interaction Errors with the Fermi-Löwdin Orbital Self-Interaction-Corrected Density Functional Approximation.
    Sharkas K; Li L; Trepte K; Withanage KPK; Joshi RP; Zope RR; Baruah T; Johnson JK; Jackson KA; Peralta JE
    J Phys Chem A; 2018 Dec; 122(48):9307-9315. PubMed ID: 30412407
    [TBL] [Abstract][Full Text] [Related]  

  • 15. MC-PDFT can calculate singlet-triplet splittings of organic diradicals.
    Stoneburner SJ; Truhlar DG; Gagliardi L
    J Chem Phys; 2018 Feb; 148(6):064108. PubMed ID: 29448785
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Fragment-based treatment of delocalization and static correlation errors in density-functional theory.
    Nafziger J; Wasserman A
    J Chem Phys; 2015 Dec; 143(23):234105. PubMed ID: 26696044
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Many-electron self-interaction error in approximate density functionals.
    Mori-Sánchez P; Cohen AJ; Yang W
    J Chem Phys; 2006 Nov; 125(20):201102. PubMed ID: 17144681
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Combining Pair-Density Functional Theory and Variational Two-Electron Reduced-Density Matrix Methods.
    Mostafanejad M; DePrince AE
    J Chem Theory Comput; 2019 Jan; 15(1):290-302. PubMed ID: 30557027
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Dipole Moment Calculations Using Multiconfiguration Pair-Density Functional Theory and Hybrid Multiconfiguration Pair-Density Functional Theory.
    Lykhin AO; Truhlar DG; Gagliardi L
    J Chem Theory Comput; 2021 Dec; 17(12):7586-7601. PubMed ID: 34793166
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Separated-pair approximation and separated-pair pair-density functional theory.
    Odoh SO; Manni GL; Carlson RK; Truhlar DG; Gagliardi L
    Chem Sci; 2016 Mar; 7(3):2399-2413. PubMed ID: 29997782
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 18.