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 *

101 related articles for article (PubMed ID: 20969362)

  • 1. Communication: Bond length alternation of conjugated oligomers: Another step on the fifth rung of Perdew's ladder of functional.
    Chabbal S; Jacquemin D; Adamo C; Stoll H; Leininger T
    J Chem Phys; 2010 Oct; 133(15):151104. PubMed ID: 20969362
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Double hybrid functionals and the Π-system bond length alternation challenge: rivaling accuracy of post-HF methods.
    Wykes M; Su NQ; Xu X; Adamo C; Sancho-García JC
    J Chem Theory Comput; 2015 Feb; 11(2):832-8. PubMed ID: 26579607
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Assessment of the efficiency of long-range corrected functionals for some properties of large compounds.
    Jacquemin D; Perpète EA; Scalmani G; Frisch MJ; Kobayashi R; Adamo C
    J Chem Phys; 2007 Apr; 126(14):144105. PubMed ID: 17444699
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Bond Length Alternation of Conjugated Oligomers: Wave Function and DFT Benchmarks.
    Jacquemin D; Adamo C
    J Chem Theory Comput; 2011 Feb; 7(2):369-76. PubMed ID: 26596158
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Revisiting the relationship between the bond length alternation and the first hyperpolarizability with range-separated hybrid functionals.
    Jacquemin D; Perpéte EA; Ciofini I; Adamo C
    J Comput Chem; 2008 Apr; 29(6):921-5. PubMed ID: 17963222
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Bond length alternation and energy band gap of polyyne.
    Yang S; Kertesz M
    J Phys Chem A; 2006 Aug; 110(31):9771-4. PubMed ID: 16884210
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Second-order Møller-Plesset evaluation of the bond length alternation of several series of linear oligomers.
    Jacquemin D; Femenias A; Chermette H; André JM; Perpète EA
    J Phys Chem A; 2005 Jun; 109(25):5734-41. PubMed ID: 16833906
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Structural and electronic properties of polyacetylene and polyyne from hybrid and Coulomb-attenuated density functionals.
    Peach MJ; Tellgren EI; Sałek P; Helgaker T; Tozer DJ
    J Phys Chem A; 2007 Nov; 111(46):11930-5. PubMed ID: 17963369
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Assessment of several hybrid DFT functionals for the evaluation of bond length alternation of increasingly long oligomers.
    Jacquemin D; Femenias A; Chermette H; Ciofini I; Adamo C; André JM; Perpète EA
    J Phys Chem A; 2006 May; 110(17):5952-9. PubMed ID: 16640395
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Assessment of density functionals for pi systems: Energy differences between cumulenes and poly-ynes; proton affinities, bond length alternation, and torsional potentials of conjugated polyenes; and proton affinities of conjugated Shiff bases.
    Zhao Y; Truhlar DG
    J Phys Chem A; 2006 Sep; 110(35):10478-86. PubMed ID: 16942053
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Nonlinear optical property calculations of polyynes with long-range corrected hybrid exchange-correlation functionals.
    Song JW; Watson MA; Sekino H; Hirao K
    J Chem Phys; 2008 Jul; 129(2):024117. PubMed ID: 18624526
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Improved accuracy with medium cost computational methods for the evaluation of bond length alternation of increasingly long oligoacetylenes.
    Sancho-García JC; Pérez-Jiménez AJ
    Phys Chem Chem Phys; 2007 Nov; 9(44):5874-9. PubMed ID: 17989794
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Intermolecular potentials of the silane dimer calculated with Hartree-Fock theory, Møller-Plesset perturbation theory, and density functional theory.
    Pai CC; Li AH; Chao SD
    J Phys Chem A; 2007 Nov; 111(46):11922-9. PubMed ID: 17963367
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Magnetic exchange couplings evaluated with Rung 3.5 density functionals.
    Phillips JJ; Peralta JE; Janesko BG
    J Chem Phys; 2011 Jun; 134(21):214101. PubMed ID: 21663338
    [TBL] [Abstract][Full Text] [Related]  

  • 15. First hyperpolarizability of polymethineimine with long-range corrected functionals.
    Jacquemin D; Perpète EA; Medved' M; Scalmani G; Frisch MJ; Kobayashi R; Adamo C
    J Chem Phys; 2007 May; 126(19):191108. PubMed ID: 17523788
    [TBL] [Abstract][Full Text] [Related]  

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

  • 17. Geometry, dipole moment, polarizability and first hyperpolarizability of polymethineimine: an assessment of electron correlation contributions.
    Jacquemin D; Andre JM; Perpete EA
    J Chem Phys; 2004 Sep; 121(9):4389-96. PubMed ID: 15332990
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Long-range corrected hybrid functionals for π-conjugated systems: dependence of the range-separation parameter on conjugation length.
    Körzdörfer T; Sears JS; Sutton C; Brédas JL
    J Chem Phys; 2011 Nov; 135(20):204107. PubMed ID: 22128928
    [TBL] [Abstract][Full Text] [Related]  

  • 19. 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]  

  • 20. Assessment of new meta and hybrid meta density functionals for predicting the geometry and binding energy of a challenging system: the dimer of H2S and benzene.
    Leverentz HR; Truhlar DG
    J Phys Chem A; 2008 Jul; 112(26):6009-16. PubMed ID: 18540587
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.