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: 23387574)

  • 21. Efficient yet accurate dispersion-corrected semilocal exchange-correlation functionals for non-covalent interactions.
    Patra A; Jana S; Constantin LA; Samal P
    J Chem Phys; 2020 Aug; 153(8):084117. PubMed ID: 32872861
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Exploring the limit of accuracy for density functionals based on the generalized gradient approximation: local, global hybrid, and range-separated hybrid functionals with and without dispersion corrections.
    Mardirossian N; Head-Gordon M
    J Chem Phys; 2014 May; 140(18):18A527. PubMed ID: 24832335
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Range-Separated meta-GGA Functional Designed for Noncovalent Interactions.
    Modrzejewski M; Chałasiński G; Szczęśniak MM
    J Chem Theory Comput; 2014 Oct; 10(10):4297-306. PubMed ID: 26588126
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Assessing the performance of the recent meta-GGA density functionals for describing the lattice constants, bulk moduli, and cohesive energies of alkali, alkaline-earth, and transition metals.
    Jana S; Sharma K; Samal P
    J Chem Phys; 2018 Oct; 149(16):164703. PubMed ID: 30384757
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Communication: A new class of non-empirical explicit density functionals on the third rung of Jacob's ladder.
    de Silva P; Corminboeuf C
    J Chem Phys; 2015 Sep; 143(11):111105. PubMed ID: 26395680
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Comparison of density functionals for energy and structural differences between the high- [5T2g:(t2g)4(eg)2] and low- [1A1g:(t2g)6(eg)0] spin states of iron(II) coordination compounds. II. More functionals and the hexaminoferrous cation, [Fe(NH3)6]2+.
    Fouqueau A; Casida ME; Lawson Daku LM; Hauser A; Neese F
    J Chem Phys; 2005 Jan; 122(4):44110. PubMed ID: 15740238
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Hartree potential dependent exchange functional.
    Constantin LA; Fabiano E; Della Sala F
    J Chem Phys; 2016 Aug; 145(8):084110. PubMed ID: 27586907
    [TBL] [Abstract][Full Text] [Related]  

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

  • 29. 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]  

  • 30. A General Database for Main Group Thermochemistry, Kinetics, and Noncovalent Interactions - Assessment of Common and Reparameterized (meta-)GGA Density Functionals.
    Goerigk L; Grimme S
    J Chem Theory Comput; 2010 Jan; 6(1):107-26. PubMed ID: 26614324
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Employing Range Separation on the meta-GGA Rung: New Functional Suitable for Both Covalent and Noncovalent Interactions.
    Modrzejewski M; Hapka M; Chalasinski G; Szczesniak MM
    J Chem Theory Comput; 2016 Aug; 12(8):3662-73. PubMed ID: 27428668
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Generalized Gradient Approximations of the Noninteracting Kinetic Energy from the Semiclassical Atom Theory: Rationalization of the Accuracy of the Frozen Density Embedding Theory for Nonbonded Interactions.
    Laricchia S; Fabiano E; Constantin LA; Della Sala F
    J Chem Theory Comput; 2011 Aug; 7(8):2439-51. PubMed ID: 26606618
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Double-hybrid density functional theory for excited electronic states of molecules.
    Grimme S; Neese F
    J Chem Phys; 2007 Oct; 127(15):154116. PubMed ID: 17949141
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Thermally-assisted-occupation density functional theory with generalized-gradient approximations.
    Chai JD
    J Chem Phys; 2014 May; 140(18):18A521. PubMed ID: 24832329
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Long-Range-Corrected Hybrids Based on a New Model Exchange Hole.
    Weintraub E; Henderson TM; Scuseria GE
    J Chem Theory Comput; 2009 Apr; 5(4):754-62. PubMed ID: 26609580
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Construction of a generalized gradient approximation by restoring the density-gradient expansion and enforcing a tight Lieb-Oxford bound.
    Zhao Y; Truhlar DG
    J Chem Phys; 2008 May; 128(18):184109. PubMed ID: 18532801
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Prescription for the design and selection of density functional approximations: more constraint satisfaction with fewer fits.
    Perdew JP; Ruzsinszky A; Tao J; Staroverov VN; Scuseria GE; Csonka GI
    J Chem Phys; 2005 Aug; 123(6):62201. PubMed ID: 16122287
    [TBL] [Abstract][Full Text] [Related]  

  • 38. r
    Ehlert S; Huniar U; Ning J; Furness JW; Sun J; Kaplan AD; Perdew JP; Brandenburg JG
    J Chem Phys; 2021 Feb; 154(6):061101. PubMed ID: 33588552
    [TBL] [Abstract][Full Text] [Related]  

  • 39. SCAN-based hybrid and double-hybrid density functionals from models without fitted parameters.
    Hui K; Chai JD
    J Chem Phys; 2016 Jan; 144(4):044114. PubMed ID: 26827209
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Non-empirical improvement of PBE and its hybrid PBE0 for general description of molecular properties.
    del Campo JM; Gázquez JL; Trickey SB; Vela A
    J Chem Phys; 2012 Mar; 136(10):104108. PubMed ID: 22423829
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 12.