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 *

115 related articles for article (PubMed ID: 37708640)

  • 1. An Accurate Density Coherence Functional for Hybrid Multiconfiguration Density Coherence Functional Theory.
    Zhang D; Truhlar DG
    J Chem Theory Comput; 2023 Oct; 19(19):6551-6556. PubMed ID: 37708640
    [TBL] [Abstract][Full Text] [Related]  

  • 2. 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]  

  • 3. 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]  

  • 4. 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]  

  • 5. Multiconfiguration Density-Coherence Functional Theory.
    Zhang D; Hermes MR; Gagliardi L; Truhlar DG
    J Chem Theory Comput; 2021 May; 17(5):2775-2782. PubMed ID: 33818081
    [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. Calculation of Chemical Reaction Barrier Heights by Multiconfiguration Pair-Density Functional Theory with Correlated Participating Orbitals.
    Sand AM; Kidder KM; Truhlar DG; Gagliardi L
    J Phys Chem A; 2019 Nov; 123(45):9809-9817. PubMed ID: 31609619
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. 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]  

  • 10. 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]  

  • 11. Predicting Bond Dissociation Energies of Transition-Metal Compounds by Multiconfiguration Pair-Density Functional Theory and Second-Order Perturbation Theory Based on Correlated Participating Orbitals and Separated Pairs.
    Bao JL; Odoh SO; Gagliardi L; Truhlar DG
    J Chem Theory Comput; 2017 Feb; 13(2):616-626. PubMed ID: 28001390
    [TBL] [Abstract][Full Text] [Related]  

  • 12. 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]  

  • 13. 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]  

  • 14. 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]  

  • 15. 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]  

  • 16. Multiconfiguration Pair-Density Functional Theory: A Fully Translated Gradient Approximation and Its Performance for Transition Metal Dimers and the Spectroscopy of Re2Cl8(2-).
    Carlson RK; Truhlar DG; Gagliardi L
    J Chem Theory Comput; 2015 Sep; 11(9):4077-85. PubMed ID: 26575903
    [TBL] [Abstract][Full Text] [Related]  

  • 17. 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]  

  • 18. Weak Interactions in Alkaline Earth Metal Dimers by Pair-Density Functional Theory.
    Bao JJ; Gagliardi L; Truhlar DG
    J Phys Chem Lett; 2019 Feb; 10(4):799-805. PubMed ID: 30715896
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Multiconfiguration Pair-Density Functional Theory.
    Sharma P; Bao JJ; Truhlar DG; Gagliardi L
    Annu Rev Phys Chem; 2021 Apr; 72():541-564. PubMed ID: 33878898
    [TBL] [Abstract][Full Text] [Related]  

  • 20. 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]  

    [Next]    [New Search]
    of 6.