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 *

264 related articles for article (PubMed ID: 19045072)

  • 1. Calculating interaction energies in transition metal complexes with local electron correlation methods.
    Hill JG; Platts JA
    J Chem Phys; 2008 Oct; 129(13):134101. PubMed ID: 19045072
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Calculation of intermolecular interactions in the benzene dimer using coupled-cluster and local electron correlation methods.
    Hill JG; Platts JA; Werner HJ
    Phys Chem Chem Phys; 2006 Sep; 8(35):4072-8. PubMed ID: 17028695
    [TBL] [Abstract][Full Text] [Related]  

  • 3. 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]  

  • 4. Møller-Plesset perturbation energies and distances for HeC(20) extrapolated to the complete basis set limit.
    Varandas AJ
    J Comput Chem; 2009 Feb; 30(3):379-88. PubMed ID: 18629809
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Analytical energy gradients for local second-order Møller-Plesset perturbation theory using density fitting approximations.
    Schütz M; Werner HJ; Lindh R; Manby FR
    J Chem Phys; 2004 Jul; 121(2):737-50. PubMed ID: 15260600
    [TBL] [Abstract][Full Text] [Related]  

  • 6. 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]  

  • 7. Application of Gaussian-type geminals in local second-order Møller-Plesset perturbation theory.
    Polly R; Werner HJ; Dahle P; Taylor PR
    J Chem Phys; 2006 Jun; 124(23):234107. PubMed ID: 16821907
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Auxiliary basis sets for density fitting-MP2 calculations: Nonrelativistic triple-zeta all-electron correlation consistent basis sets for the 3d elements Sc-Zn.
    Hill JG; Platts JA
    J Chem Phys; 2008 Jan; 128(4):044104. PubMed ID: 18247927
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Improved supermolecular second order Møller-Plesset intermolecular interaction energies using time-dependent density functional response theory.
    Hesselmann A
    J Chem Phys; 2008 Apr; 128(14):144112. PubMed ID: 18412428
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Range-separated density-functional theory with random phase approximation applied to noncovalent intermolecular interactions.
    Zhu W; Toulouse J; Savin A; Angyán JG
    J Chem Phys; 2010 Jun; 132(24):244108. PubMed ID: 20590182
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Absolutely local excited orbitals in the higher order perturbation expansion for the molecular interaction.
    Iwata S
    J Phys Chem B; 2008 Dec; 112(50):16104-9. PubMed ID: 19367996
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Dual-basis second-order Moller-Plesset perturbation theory: A reduced-cost reference for correlation calculations.
    Steele RP; DiStasio RA; Shao Y; Kong J; Head-Gordon M
    J Chem Phys; 2006 Aug; 125(7):074108. PubMed ID: 16942323
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Impact of local and density fitting approximations on harmonic vibrational frequencies.
    Hrenar T; Rauhut G; Werner HJ
    J Phys Chem A; 2006 Feb; 110(5):2060-4. PubMed ID: 16451043
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Effects of basis set superposition error on optimized geometries and complexation energies of organo-alkali metal cation complexes.
    Kim CK; Zhang H; Yoon SH; Won J; Lee MJ; Kim CK
    J Phys Chem A; 2009 Jan; 113(2):513-9. PubMed ID: 19090678
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Eliminating the domain error in local explicitly correlated second-order Møller-Plesset perturbation theory.
    Werner HJ
    J Chem Phys; 2008 Sep; 129(10):101103. PubMed ID: 19044900
    [TBL] [Abstract][Full Text] [Related]  

  • 16. A comparison of linear and nonlinear correlation factors for basis set limit Møller-Plesset second order binding energies and structures of He2, Be2, and Ne2.
    Tew DP; Klopper W
    J Chem Phys; 2006 Sep; 125(9):094302. PubMed ID: 16965075
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Auxiliary basis sets for density fitting second-order Møller-Plesset perturbation theory: correlation consistent basis sets for the 5d elements Hf-Pt.
    Hill JG
    J Chem Phys; 2011 Jul; 135(4):044105. PubMed ID: 21806088
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Role of Hartree-Fock and Kohn-Sham orbitals in the basis set superposition error for systems linked by hydrogen bonds.
    Garza J; Ramírez JZ; Vargas R
    J Phys Chem A; 2005 Feb; 109(4):643-51. PubMed ID: 16833391
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Hartree-Fock complete basis set limit properties for transition metal diatomics.
    Williams TG; DeYonker NJ; Wilson AK
    J Chem Phys; 2008 Jan; 128(4):044101. PubMed ID: 18247924
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Efficiency of numerical basis sets for predicting the binding energies of hydrogen bonded complexes: evidence of small basis set superposition error compared to Gaussian basis sets.
    Inada Y; Orita H
    J Comput Chem; 2008 Jan; 29(2):225-32. PubMed ID: 17565500
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 14.