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 *

422 related articles for article (PubMed ID: 20707558)

  • 1. Spin-component-scaling second-order Møller-Plesset theory and its variants for economical correlation energies: unified theoretical interpretation and use for quartet N3.
    Varandas AJ
    J Chem Phys; 2010 Aug; 133(6):064104. PubMed ID: 20707558
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Orbital-optimized third-order Møller-Plesset perturbation theory and its spin-component and spin-opposite scaled variants: application to symmetry breaking problems.
    Bozkaya U
    J Chem Phys; 2011 Dec; 135(22):224103. PubMed ID: 22168676
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Spin-component-scaled Møller-Plesset (SCS-MP) perturbation theory: a generalization of the MP approach with improved properties.
    Fink RF
    J Chem Phys; 2010 Nov; 133(17):174113. PubMed ID: 21054012
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Benchmarking the performance of spin-component scaled CC2 in ground and electronically excited states.
    Hellweg A; Grün SA; Hättig C
    Phys Chem Chem Phys; 2008 Jul; 10(28):4119-27. PubMed ID: 18612515
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Improvement of the coupled-cluster singles and doubles method via scaling same- and opposite-spin components of the double excitation correlation energy.
    Takatani T; Hohenstein EG; Sherrill CD
    J Chem Phys; 2008 Mar; 128(12):124111. PubMed ID: 18376912
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Basis set and electron correlation effects on the polarizability and second hyperpolarizability of model open-shell pi-conjugated systems.
    Champagne B; Botek E; Nakano M; Nitta T; Yamaguchi K
    J Chem Phys; 2005 Mar; 122(11):114315. PubMed ID: 15839724
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Scaled opposite-spin second order Møller-Plesset correlation energy: an economical electronic structure method.
    Jung Y; Lochan RC; Dutoi AD; Head-Gordon M
    J Chem Phys; 2004 Nov; 121(20):9793-802. PubMed ID: 15549852
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Is spin-component scaled second-order Møller-Plesset perturbation theory an appropriate method for the study of noncovalent interactions in molecules?
    Antony J; Grimme S
    J Phys Chem A; 2007 Jun; 111(22):4862-8. PubMed ID: 17506533
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Theoretical interpretation of Grimme's spin-component-scaled second order Møller-Plesset theory.
    Szabados A
    J Chem Phys; 2006 Dec; 125(21):214105. PubMed ID: 17166013
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Calculating stacking interactions in nucleic acid base-pair steps using spin-component scaling and local second order Møller-Plesset perturbation theory.
    Hill JG; Platts JA
    Phys Chem Chem Phys; 2008 May; 10(19):2785-91. PubMed ID: 18464995
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Extrapolating to the one-electron basis-set limit in electronic structure calculations.
    Varandas AJ
    J Chem Phys; 2007 Jun; 126(24):244105. PubMed ID: 17614535
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Assessing spin-component-scaled second-order Møller-plesset theory using anharmonic frequencies.
    Domin D; Benoit DM
    Chemphyschem; 2011 Dec; 12(17):3383-91. PubMed ID: 22069239
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Fast evaluation of scaled opposite spin second-order Møller-Plesset correlation energies using auxiliary basis expansions and exploiting sparsity.
    Jung Y; Shao Y; Head-Gordon M
    J Comput Chem; 2007 Sep; 28(12):1953-64. PubMed ID: 17447248
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Theoretical thermodynamics for large molecules: walking the thin line between accuracy and computational cost.
    Schwabe T; Grimme S
    Acc Chem Res; 2008 Apr; 41(4):569-79. PubMed ID: 18324790
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Periodic local Møller-Plesset second order perturbation theory method applied to molecular crystals: study of solid NH3 and CO2 using extended basis sets.
    Maschio L; Usvyat D; Schütz M; Civalleri B
    J Chem Phys; 2010 Apr; 132(13):134706. PubMed ID: 20387953
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Orbital-optimized opposite-spin scaled second-order correlation: an economical method to improve the description of open-shell molecules.
    Lochan RC; Head-Gordon M
    J Chem Phys; 2007 Apr; 126(16):164101. PubMed ID: 17477583
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Scaled second-order perturbation corrections to configuration interaction singles: efficient and reliable excitation energy methods.
    Rhee YM; Head-Gordon M
    J Phys Chem A; 2007 Jun; 111(24):5314-26. PubMed ID: 17521172
    [TBL] [Abstract][Full Text] [Related]  

  • 18. The accuracy of dipole moments from spin-component scaled CC2 in ground and electronically excited states.
    Hellweg A
    J Chem Phys; 2011 Feb; 134(6):064103. PubMed ID: 21322657
    [TBL] [Abstract][Full Text] [Related]  

  • 19. New SCS- and SOS-MP2 Coefficients Fitted to Semi-Coulombic Systems.
    Rigby J; Izgorodina EI
    J Chem Theory Comput; 2014 Aug; 10(8):3111-22. PubMed ID: 26588282
    [TBL] [Abstract][Full Text] [Related]  

  • 20. 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]  

    [Next]    [New Search]
    of 22.