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 *

1279 related articles for article (PubMed ID: 19090563)

  • 1. Molecular dynamics simulations of fluid methane properties using ab initio intermolecular interaction potentials.
    Chao SW; Li AH; Chao SD
    J Comput Chem; 2009 Sep; 30(12):1839-49. PubMed ID: 19090563
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Computer simulation of trifluoromethane properties with ab initio force field.
    Chung YH; Li AH; Chao SD
    J Comput Chem; 2011 Aug; 32(11):2414-21. PubMed ID: 21598276
    [TBL] [Abstract][Full Text] [Related]  

  • 3. 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]  

  • 4. Molecular dynamics simulation of liquid carbon tetrachloride using ab initio force field.
    Li AH; Huang SC; Chao SD
    J Chem Phys; 2010 Jan; 132(2):024506. PubMed ID: 20095686
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Intermolecular potentials of the methane dimer calculated with Møller-Plesset perturbation theory and density functional theory.
    Li AH; Chao SD
    J Chem Phys; 2006 Sep; 125(9):094312. PubMed ID: 16965085
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Intermolecular potential energy surface for CS2 dimer.
    Farrokhpour H; Mombeini Z; Namazian M; Coote ML
    J Comput Chem; 2011 Apr; 32(5):797-809. PubMed ID: 20941736
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Estimated MP2 and CCSD(T) interaction energies of n-alkane dimers at the basis set limit: comparison of the methods of Helgaker et al. and Feller.
    Tsuzuki S; Honda K; Uchimaru T; Mikami M
    J Chem Phys; 2006 Mar; 124(11):114304. PubMed ID: 16555885
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Ab initio calculations on halogen-bonded complexes and comparison with density functional methods.
    Lu YX; Zou JW; Fan JC; Zhao WN; Jiang YJ; Yu QS
    J Comput Chem; 2009 Apr; 30(5):725-32. PubMed ID: 18727160
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Performance of spin-component-scaled Møller-Plesset theory (SCS-MP2) for potential energy curves of noncovalent interactions.
    Takatani T; David Sherrill C
    Phys Chem Chem Phys; 2007 Dec; 9(46):6106-14. PubMed ID: 18167585
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Ab initio and analytic intermolecular potentials for Ar-CH(3)OH.
    Tasić U; Alexeev Y; Vayner G; Crawford TD; Windus TL; Hase WL
    Phys Chem Chem Phys; 2006 Oct; 8(40):4678-84. PubMed ID: 17047766
    [TBL] [Abstract][Full Text] [Related]  

  • 11. An ab initio benchmark study of hydrogen bonded formamide dimers.
    Frey JA; Leutwyler S
    J Phys Chem A; 2006 Nov; 110(45):12512-8. PubMed ID: 17091957
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Liquid properties of dimethyl ether from molecular dynamics simulations using ab initio force fields.
    Wang SB; Li AH; Chao SD
    J Comput Chem; 2012 Apr; 33(9):998-1003. PubMed ID: 22278976
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Ab initio intermolecular potential energy surface and second pressure virial coefficients of methane.
    Hellmann R; Bich E; Vogel E
    J Chem Phys; 2008 Jun; 128(21):214303. PubMed ID: 18537418
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Liquid chloroform structure from computer simulation with a full ab initio intermolecular interaction potential.
    Yin CC; Li AH; Chao SD
    J Chem Phys; 2013 Nov; 139(19):194501. PubMed ID: 24320333
    [TBL] [Abstract][Full Text] [Related]  

  • 15. On geometries of stacked and H-bonded nucleic acid base pairs determined at various DFT, MP2, and CCSD(T) levels up to the CCSD(T)/complete basis set limit level.
    Dabkowska I; Jurecka P; Hobza P
    J Chem Phys; 2005 May; 122(20):204322. PubMed ID: 15945739
    [TBL] [Abstract][Full Text] [Related]  

  • 16. An ab initio correlated study of the potential energy surface for the HOBr.H2O complex.
    Santos CM; Faria R; Machado SP; De Almeida WB
    J Chem Phys; 2004 Jul; 121(1):141-8. PubMed ID: 15260531
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Accurate ab initio structure, dissociation energy, and vibrational spectroscopy of the F(-)-CH4 anion complex.
    Czakó G; Braams BJ; Bowman JM
    J Phys Chem A; 2008 Aug; 112(32):7466-72. PubMed ID: 18651724
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Approximations to complete basis set-extrapolated, highly correlated non-covalent interaction energies.
    Mackie ID; DiLabio GA
    J Chem Phys; 2011 Oct; 135(13):134318. PubMed ID: 21992316
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Basis set superposition error in MP2 and density-functional theory: a case of methane-nitric oxide association.
    Crespo-Otero R; Montero LA; Stohrer WD; García de la Vega JM
    J Chem Phys; 2005 Oct; 123(13):134107. PubMed ID: 16223275
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Ab initio and analytic intermolecular potentials for Ar-CF4.
    Vayner G; Alexeev Y; Wang J; Windus TL; Hase WL
    J Phys Chem A; 2006 Mar; 110(9):3174-8. PubMed ID: 16509641
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 64.