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 *

232 related articles for article (PubMed ID: 32022044)

  • 1. How accurate are approximate quantum chemical methods at modelling solute-solvent interactions in solvated clusters?
    Chen J; Chan B; Shao Y; Ho J
    Phys Chem Chem Phys; 2020 Feb; 22(7):3855-3866. PubMed ID: 32022044
    [TBL] [Abstract][Full Text] [Related]  

  • 2. A comprehensive benchmark investigation of quantum chemical methods for carbocations.
    de Oliveira MT; Alves JMA; Vrech NL; Braga AAC; Barboza CA
    Phys Chem Chem Phys; 2023 Jan; 25(3):1903-1922. PubMed ID: 36541431
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Heats of Formation of Medium-Sized Organic Compounds from Contemporary Electronic Structure Methods.
    Minenkov Y; Wang H; Wang Z; Sarathy SM; Cavallo L
    J Chem Theory Comput; 2017 Aug; 13(8):3537-3560. PubMed ID: 28636351
    [TBL] [Abstract][Full Text] [Related]  

  • 4. How reliable is DFT in predicting relative energies of polycyclic aromatic hydrocarbon isomers? comparison of functionals from different rungs of jacob's ladder.
    Karton A
    J Comput Chem; 2017 Mar; 38(6):370-382. PubMed ID: 27859494
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Survival of the most transferable at the top of Jacob's ladder: Defining and testing the ωB97M(2) double hybrid density functional.
    Mardirossian N; Head-Gordon M
    J Chem Phys; 2018 Jun; 148(24):241736. PubMed ID: 29960332
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Benchmarking Density Functional Theory Methods for Metalloenzyme Reactions: The Introduction of the MME55 Set.
    Wappett DA; Goerigk L
    J Chem Theory Comput; 2023 Nov; 19(22):8365-8383. PubMed ID: 37943578
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Performance of DFT for C
    Karton A; Waite SL; Page AJ
    J Phys Chem A; 2019 Jan; 123(1):257-266. PubMed ID: 30521343
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Assessment of the DLPNO Binding Energies of Strongly Noncovalent Bonded Atmospheric Molecular Clusters.
    Schmitz G; Elm J
    ACS Omega; 2020 Apr; 5(13):7601-7612. PubMed ID: 32280904
    [TBL] [Abstract][Full Text] [Related]  

  • 9. A critical comparison of CH⋯π
    Herman KM; Aprà E; Xantheas SS
    Phys Chem Chem Phys; 2023 Feb; 25(6):4824-4838. PubMed ID: 36692338
    [TBL] [Abstract][Full Text] [Related]  

  • 10. A Systematic Study of DFT Performance for Geometry Optimizations of Ionic Liquid Clusters.
    Seeger ZL; Izgorodina EI
    J Chem Theory Comput; 2020 Oct; 16(10):6735-6753. PubMed ID: 32865998
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Is It Possible To Obtain Coupled Cluster Quality Energies at near Density Functional Theory Cost? Domain-Based Local Pair Natural Orbital Coupled Cluster vs Modern Density Functional Theory.
    Liakos DG; Neese F
    J Chem Theory Comput; 2015 Sep; 11(9):4054-63. PubMed ID: 26575901
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Comprehensive Thermochemical Benchmark Set of Realistic Closed-Shell Metal Organic Reactions.
    Dohm S; Hansen A; Steinmetz M; Grimme S; Checinski MP
    J Chem Theory Comput; 2018 May; 14(5):2596-2608. PubMed ID: 29565586
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Benchmark Relative Energies for Large Water Clusters with the Generalized Energy-Based Fragmentation Method.
    Yuan D; Li Y; Ni Z; Pulay P; Li W; Li S
    J Chem Theory Comput; 2017 Jun; 13(6):2696-2704. PubMed ID: 28478670
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Evaluating Transition Metal Barrier Heights with the Latest Density Functional Theory Exchange-Correlation Functionals: The MOBH35 Benchmark Database.
    Iron MA; Janes T
    J Phys Chem A; 2019 May; 123(17):3761-3781. PubMed ID: 30973722
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Accurate Quantum Chemical Prediction of Gas-Phase Anion Binding Affinities and Their Structure-Binding Relationships.
    Sandler I; Sharma S; Chan B; Ho J
    J Phys Chem A; 2021 Nov; 125(45):9838-9851. PubMed ID: 34739245
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Big data benchmarking: how do DFT methods across the rungs of Jacob's ladder perform for a dataset of 122k CCSD(T) total atomization energies?
    Karton A
    Phys Chem Chem Phys; 2024 May; 26(20):14594-14606. PubMed ID: 38738470
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Predicting Ligand-Dissociation Energies of 3d Coordination Complexes with Auxiliary-Field Quantum Monte Carlo.
    Rudshteyn B; Coskun D; Weber JL; Arthur EJ; Zhang S; Reichman DR; Friesner RA; Shee J
    J Chem Theory Comput; 2020 May; 16(5):3041-3054. PubMed ID: 32293882
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Assessment of XC functionals for the study of organic molecules with superhalogen substitution. A systematic comparison between DFT and CCSD(T).
    Li JF; Wang JH; Yin B
    J Chem Phys; 2022 May; 156(18):184303. PubMed ID: 35568538
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Chalcogen bonds: Hierarchical ab initio benchmark and density functional theory performance study.
    de Azevedo Santos L; Ramalho TC; Hamlin TA; Bickelhaupt FM
    J Comput Chem; 2021 Apr; 42(10):688-698. PubMed ID: 33543482
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Calculations on noncovalent interactions and databases of benchmark interaction energies.
    Hobza P
    Acc Chem Res; 2012 Apr; 45(4):663-72. PubMed ID: 22225511
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 12.