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 *

407 related articles for article (PubMed ID: 17059242)

  • 1. Auxiliary-field quantum Monte Carlo study of first- and second-row post-d elements.
    Al-Saidi WA; Krakauer H; Zhang S
    J Chem Phys; 2006 Oct; 125(15):154110. PubMed ID: 17059242
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Variational and diffusion Monte Carlo study of post-d group 13-17 elements.
    Al-Saidi WA
    J Chem Phys; 2008 Aug; 129(6):064316. PubMed ID: 18715078
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Auxiliary-field quantum Monte Carlo calculations of molecular systems with a Gaussian basis.
    Al-Saidi WA; Zhang S; Krakauer H
    J Chem Phys; 2006 Jun; 124(22):224101. PubMed ID: 16784257
    [TBL] [Abstract][Full Text] [Related]  

  • 4. A study of H+H2 and several H-bonded molecules by phaseless auxiliary-field quantum Monte Carlo with plane wave and Gaussian basis sets.
    Al-Saidi WA; Krakauer H; Zhang S
    J Chem Phys; 2007 May; 126(19):194105. PubMed ID: 17523796
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Bond breaking with auxiliary-field quantum Monte Carlo.
    Al-Saidi WA; Zhang S; Krakauer H
    J Chem Phys; 2007 Oct; 127(14):144101. PubMed ID: 17935380
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Energy-consistent pseudopotentials for quantum Monte Carlo calculations.
    Burkatzki M; Filippi C; Dolg M
    J Chem Phys; 2007 Jun; 126(23):234105. PubMed ID: 17600402
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Quantum Monte Carlo calculations of the dissociation energies of three-electron hemibonded radical cationic dimers.
    Gurtubay IG; Drummond ND; Towler MD; Needs RJ
    J Chem Phys; 2006 Jan; 124(2):024318. PubMed ID: 16422594
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Excited state calculations using phaseless auxiliary-field quantum Monte Carlo: Potential energy curves of low-lying C(2) singlet states.
    Purwanto W; Zhang S; Krakauer H
    J Chem Phys; 2009 Mar; 130(9):094107. PubMed ID: 19275396
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Quantum Monte Carlo calculations of the dissociation energy of the water dimer.
    Benedek NA; Snook IK; Towler MD; Needs RJ
    J Chem Phys; 2006 Sep; 125(10):104302. PubMed ID: 16999521
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Energy-consistent small-core pseudopotentials for 3d-transition metals adapted to quantum Monte Carlo calculations.
    Burkatzki M; Filippi C; Dolg M
    J Chem Phys; 2008 Oct; 129(16):164115. PubMed ID: 19045255
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Correlation consistent basis sets for molecular core-valence effects with explicitly correlated wave functions: the atoms B-Ne and Al-Ar.
    Hill JG; Mazumder S; Peterson KA
    J Chem Phys; 2010 Feb; 132(5):054108. PubMed ID: 20136306
    [TBL] [Abstract][Full Text] [Related]  

  • 12. General orbital invariant MP2-F12 theory.
    Werner HJ; Adler TB; Manby FR
    J Chem Phys; 2007 Apr; 126(16):164102. PubMed ID: 17477584
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Dissociation energy of the water dimer from quantum Monte Carlo calculations.
    Gurtubay IG; Needs RJ
    J Chem Phys; 2007 Sep; 127(12):124306. PubMed ID: 17902902
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Relativistic effects determined using the Douglas-Kroll contracted basis sets and correlation consistent basis sets with small-core relativistic pseudopotentials.
    Yockel S; Wilson AK
    J Chem Phys; 2005 May; 122(17):174310. PubMed ID: 15910035
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Towards accurate all-electron quantum Monte Carlo calculations of transition-metal systems: spectroscopy of the copper atom.
    Caffarel M; Daudey JP; Heully JL; Ramírez-Solís A
    J Chem Phys; 2005 Sep; 123(9):94102. PubMed ID: 16164336
    [TBL] [Abstract][Full Text] [Related]  

  • 16. On the performance of two-component energy-consistent pseudopotentials in atomic Fock-space coupled cluster calculations.
    Figgen D; Wedig A; Stoll H; Dolg M; Eliav E; Kaldor U
    J Chem Phys; 2008 Jan; 128(2):024106. PubMed ID: 18205442
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Gaussian-4 theory.
    Curtiss LA; Redfern PC; Raghavachari K
    J Chem Phys; 2007 Feb; 126(8):084108. PubMed ID: 17343441
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Quantum Monte Carlo study of the reaction: Cl+CH3OH-->CH2OH+HCl.
    Kollias AC; Couronne O; Lester WA
    J Chem Phys; 2004 Jul; 121(3):1357-63. PubMed ID: 15260679
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Linear-scaling fixed-node diffusion quantum Monte Carlo: accounting for the nodal information in a density matrix-based scheme.
    Kussmann J; Ochsenfeld C
    J Chem Phys; 2008 Apr; 128(13):134104. PubMed ID: 18397050
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Approaching chemical accuracy using full configuration-interaction quantum Monte Carlo: a study of ionization potentials.
    Booth GH; Alavi A
    J Chem Phys; 2010 May; 132(17):174104. PubMed ID: 20459153
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 21.