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 *

558 related articles for article (PubMed ID: 25903880)

  • 21. Description of core excitations by time-dependent density functional theory with local density approximation, generalized gradient approximation, meta-generalized gradient approximation, and hybrid functionals.
    Imamura Y; Otsuka T; Nakai H
    J Comput Chem; 2007 Sep; 28(12):2067-74. PubMed ID: 17436256
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Optics of semiconductors from meta-generalized-gradient-approximation-based time-dependent density-functional theory.
    Nazarov VU; Vignale G
    Phys Rev Lett; 2011 Nov; 107(21):216402. PubMed ID: 22181900
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Derivative discontinuity and exchange-correlation potential of meta-GGAs in density-functional theory.
    Eich FG; Hellgren M
    J Chem Phys; 2014 Dec; 141(22):224107. PubMed ID: 25494732
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Density-functional expansion methods: evaluation of LDA, GGA, and meta-GGA functionals and different integral approximations.
    Giese TJ; York DM
    J Chem Phys; 2010 Dec; 133(24):244107. PubMed ID: 21197976
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Semiempirical hybrid density functional with perturbative second-order correlation.
    Grimme S
    J Chem Phys; 2006 Jan; 124(3):034108. PubMed ID: 16438568
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Components of the Bond Energy in Polar Diatomic Molecules, Radicals, and Ions Formed by Group-1 and Group-2 Metal Atoms.
    Yu H; Truhlar DG
    J Chem Theory Comput; 2015 Jul; 11(7):2968-83. PubMed ID: 26575734
    [TBL] [Abstract][Full Text] [Related]  

  • 27. 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]  

  • 28. Climbing the density functional ladder: nonempirical meta-generalized gradient approximation designed for molecules and solids.
    Tao J; Perdew JP; Staroverov VN; Scuseria GE
    Phys Rev Lett; 2003 Oct; 91(14):146401. PubMed ID: 14611541
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Periodic subsystem density-functional theory.
    Genova A; Ceresoli D; Pavanello M
    J Chem Phys; 2014 Nov; 141(17):174101. PubMed ID: 25381496
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Toward accurate reaction energetics for molecular line growth at surface: Quantum Monte Carlo and density functional theory calculations.
    Kanai Y; Takeuchi N
    J Chem Phys; 2009 Dec; 131(21):214708. PubMed ID: 19968361
    [TBL] [Abstract][Full Text] [Related]  

  • 31. On the performance of local, semilocal, and nonlocal exchange-correlation functionals on transition metal molecules.
    Ramírez-Solís A
    J Chem Phys; 2007 Jun; 126(22):224105. PubMed ID: 17581042
    [TBL] [Abstract][Full Text] [Related]  

  • 32. The weak covalent bond in NgAuF (Ng=Ar, Kr, Xe): A challenge for subsystem density functional theory.
    Beyhan SM; Götz AW; Jacob CR; Visscher L
    J Chem Phys; 2010 Jan; 132(4):044114. PubMed ID: 20113026
    [TBL] [Abstract][Full Text] [Related]  

  • 33. 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]  

  • 34. Nonempirical construction of current-density functionals from conventional density-functional approximations.
    Tao J; Perdew JP
    Phys Rev Lett; 2005 Nov; 95(19):196403. PubMed ID: 16384002
    [TBL] [Abstract][Full Text] [Related]  

  • 35. A study of accurate exchange-correlation functionals through adiabatic connection.
    Singh R; Harbola MK
    J Chem Phys; 2017 Oct; 147(14):144105. PubMed ID: 29031261
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Accurate frozen-density embedding potentials as a first step towards a subsystem description of covalent bonds.
    Fux S; Jacob CR; Neugebauer J; Visscher L; Reiher M
    J Chem Phys; 2010 Apr; 132(16):164101. PubMed ID: 20441252
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Performance of density functional methods. Some difficult cases for small systems containing Cu, Ag, or Au.
    Sierraalta A; Añez R; Alejos P
    J Phys Chem A; 2013 Mar; 117(12):2619-28. PubMed ID: 23465056
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Avoiding singularity problems associated with meta-GGA (generalized gradient approximation) exchange and correlation functionals containing the kinetic energy density.
    Gräfenstein J; Izotov D; Cremer D
    J Chem Phys; 2007 Dec; 127(21):214103. PubMed ID: 18067345
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Dispersion Interactions with Density-Functional Theory: Benchmarking Semiempirical and Interatomic Pairwise Corrected Density Functionals.
    Marom N; Tkatchenko A; Rossi M; Gobre VV; Hod O; Scheffler M; Kronik L
    J Chem Theory Comput; 2011 Dec; 7(12):3944-51. PubMed ID: 26598340
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Away from generalized gradient approximation: orbital-dependent exchange-correlation functionals.
    Baerends EJ; Gritsenko OV
    J Chem Phys; 2005 Aug; 123(6):62202. PubMed ID: 16122288
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 28.