BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

159 related articles for article (PubMed ID: 34387364)

  • 1. Density functionals with full nonlocal exchange, nonlocal rung-3.5 correlation, and D3 dispersion: Combined accuracy for general main-group thermochemistry, kinetics, and noncovalent interactions.
    Ramos C; Muehlbrad J; Janesko BG
    J Comput Chem; 2021 Oct; 42(27):1974-1981. PubMed ID: 34387364
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Nonlocal rung-3.5 correlation from the density matrix expansion: Flat-plane condition, thermochemistry, and kinetics.
    Ramos C; Janesko BG
    J Chem Phys; 2020 Oct; 153(16):164116. PubMed ID: 33138396
    [TBL] [Abstract][Full Text] [Related]  

  • 3. A look at the density functional theory zoo with the advanced GMTKN55 database for general main group thermochemistry, kinetics and noncovalent interactions.
    Goerigk L; Hansen A; Bauer C; Ehrlich S; Najibi A; Grimme S
    Phys Chem Chem Phys; 2017 Dec; 19(48):32184-32215. PubMed ID: 29110012
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Rung 3.5 density functionals.
    Janesko BG
    J Chem Phys; 2010 Sep; 133(10):104103. PubMed ID: 20849160
    [TBL] [Abstract][Full Text] [Related]  

  • 5. 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]  

  • 6. 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]  

  • 7. Practical auxiliary basis implementation of Rung 3.5 functionals.
    Janesko BG; Scalmani G; Frisch MJ
    J Chem Phys; 2014 Jul; 141(3):034103. PubMed ID: 25053297
    [TBL] [Abstract][Full Text] [Related]  

  • 8. A thorough benchmark of density functional methods for general main group thermochemistry, kinetics, and noncovalent interactions.
    Goerigk L; Grimme S
    Phys Chem Chem Phys; 2011 Apr; 13(14):6670-88. PubMed ID: 21384027
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Efficient and Accurate Double-Hybrid-Meta-GGA Density Functionals-Evaluation with the Extended GMTKN30 Database for General Main Group Thermochemistry, Kinetics, and Noncovalent Interactions.
    Goerigk L; Grimme S
    J Chem Theory Comput; 2011 Feb; 7(2):291-309. PubMed ID: 26596152
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Accurate Diels-Alder reaction energies from efficient density functional calculations.
    Mezei PD; Csonka GI; Kállay M
    J Chem Theory Comput; 2015 Jun; 11(6):2879-88. PubMed ID: 26575577
    [TBL] [Abstract][Full Text] [Related]  

  • 11. M11plus, a Range-Separated Hybrid Meta Functional Incorporating Nonlocal Rung-3.5 Correlation, Exhibits Broad Accuracy on Diverse Databases.
    Janesko BG; Verma P; Scalmani G; Frisch MJ; Truhlar DG
    J Phys Chem Lett; 2020 Apr; 11(8):3045-3050. PubMed ID: 32208727
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Development of a machine learning finite-range nonlocal density functional.
    Chen Z; Yang W
    J Chem Phys; 2024 Jan; 160(1):. PubMed ID: 38180254
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Nonspherical model density matrices for Rung 3.5 density functionals.
    Janesko BG; Aguero A
    J Chem Phys; 2012 Jan; 136(2):024111. PubMed ID: 22260568
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Gauging the performance of some density functionals including dispersion and nonlocal corrections for relative energies of water 20-mers.
    Alipour M
    J Mol Graph Model; 2017 Aug; 75():132-136. PubMed ID: 28570983
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Short- and long-range corrected hybrid density functionals with the D3 dispersion corrections.
    Wang CW; Hui K; Chai JD
    J Chem Phys; 2016 Nov; 145(20):204101. PubMed ID: 27908104
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Design of Density Functionals by Combining the Method of Constraint Satisfaction with Parametrization for Thermochemistry, Thermochemical Kinetics, and Noncovalent Interactions.
    Zhao Y; Schultz NE; Truhlar DG
    J Chem Theory Comput; 2006 Mar; 2(2):364-82. PubMed ID: 26626525
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Long-range-corrected Rung 3.5 density functional approximations.
    Janesko BG; Proynov E; Scalmani G; Frisch MJ
    J Chem Phys; 2018 Mar; 148(10):104112. PubMed ID: 29544289
    [TBL] [Abstract][Full Text] [Related]  

  • 18. 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]  

  • 19. A simple nonlocal model for exchange.
    Janesko BG
    J Chem Phys; 2009 Dec; 131(23):234111. PubMed ID: 20025318
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Performance of meta-GGA Functionals on General Main Group Thermochemistry, Kinetics, and Noncovalent Interactions.
    Hao P; Sun J; Xiao B; Ruzsinszky A; Csonka GI; Tao J; Glindmeyer S; Perdew JP
    J Chem Theory Comput; 2013 Jan; 9(1):355-63. PubMed ID: 26589038
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.