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 *

139 related articles for article (PubMed ID: 20568852)

  • 21. Comparison of DFT methods for molecular orbital eigenvalue calculations.
    Zhang G; Musgrave CB
    J Phys Chem A; 2007 Mar; 111(8):1554-61. PubMed ID: 17279730
    [TBL] [Abstract][Full Text] [Related]  

  • 22. From local hybrid functionals to "localized local hybrid" potentials: formalism and thermochemical tests.
    Arbuznikov AV; Kaupp M; Bahmann H
    J Chem Phys; 2006 May; 124(20):204102. PubMed ID: 16774314
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Excitonic effects in a time-dependent density functional theory.
    Igumenshchev KI; Tretiak S; Chernyak VY
    J Chem Phys; 2007 Sep; 127(11):114902. PubMed ID: 17887875
    [TBL] [Abstract][Full Text] [Related]  

  • 24. 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]  

  • 25. Systematic Evaluation of Modern Density Functional Methods for the Computation of NMR Shifts of 3d Transition-Metal Nuclei.
    Schattenberg CJ; Lehmann M; Bühl M; Kaupp M
    J Chem Theory Comput; 2022 Jan; 18(1):273-292. PubMed ID: 34968062
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Towards improved local hybrid functionals by calibration of exchange-energy densities.
    Arbuznikov AV; Kaupp M
    J Chem Phys; 2014 Nov; 141(20):204101. PubMed ID: 25429927
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Assessment of the accuracy of long-range corrected functionals for describing the electronic and optical properties of silver clusters.
    Silverstein DW; Jensen L
    J Chem Phys; 2010 May; 132(19):194302. PubMed ID: 20499958
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Limitations of Global Hybrids in Predicting the Geometries and Torsional Energy Barriers of Dimeric Systems and the Role of Hartree Fock and DFT Exchange.
    Vikramaditya T; Lin ST
    J Comput Chem; 2019 Dec; 40(32):2810-2818. PubMed ID: 31444913
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Global hybrids from the semiclassical atom theory satisfying the local density linear response.
    Fabiano E; Constantin LA; Cortona P; Della Sala F
    J Chem Theory Comput; 2015 Jan; 11(1):122-31. PubMed ID: 26574210
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Cubic response functions in time-dependent density functional theory.
    Jansik B; Sałek P; Jonsson D; Vahtras O; Agren H
    J Chem Phys; 2005 Feb; 122(5):54107. PubMed ID: 15740310
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Range-separated local hybrids.
    Haunschild R; Scuseria GE
    J Chem Phys; 2010 Jun; 132(22):224106. PubMed ID: 20550389
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Why are time-dependent density functional theory excitations in solids equal to band structure energy gaps for semilocal functionals, and how does nonlocal Hartree-Fock-type exchange introduce excitonic effects?
    Izmaylov AF; Scuseria GE
    J Chem Phys; 2008 Jul; 129(3):034101. PubMed ID: 18647010
    [TBL] [Abstract][Full Text] [Related]  

  • 33. 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]  

  • 34. Databases for transition element bonding: metal-metal bond energies and bond lengths and their use to test hybrid, hybrid meta, and meta density functionals and generalized gradient approximations.
    Schultz NE; Zhao Y; Truhlar DG
    J Phys Chem A; 2005 May; 109(19):4388-403. PubMed ID: 16833770
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Hyper-generalized-gradient functionals constructed from the Lieb-Oxford bound: implementation via local hybrids and thermochemical assessment.
    Haunschild R; Odashima MM; Scuseria GE; Perdew JP; Capelle K
    J Chem Phys; 2012 May; 136(18):184102. PubMed ID: 22583272
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Testing the TPSS meta-generalized-gradient-approximation exchange-correlation functional in calculations of transition states and reaction barriers.
    Kanai Y; Wang X; Selloni A; Car R
    J Chem Phys; 2006 Dec; 125(23):234104. PubMed ID: 17190544
    [TBL] [Abstract][Full Text] [Related]  

  • 37. 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]  

  • 38. Efficient Self-Consistent Implementation of Local Hybrid Functionals.
    Bahmann H; Kaupp M
    J Chem Theory Comput; 2015 Apr; 11(4):1540-8. PubMed ID: 26574364
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Seeking for parameter-free double-hybrid functionals: the PBE0-DH model.
    Brémond E; Adamo C
    J Chem Phys; 2011 Jul; 135(2):024106. PubMed ID: 21766924
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Density functional investigations of the properties and thermochemistry of UF6 and UF5 using valence-electron and all-electron approaches.
    Batista ER; Martin RL; Hay PJ; Peralta JE; Scuseria GE
    J Chem Phys; 2004 Aug; 121(5):2144-50. PubMed ID: 15260768
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 7.