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 *

284 related articles for article (PubMed ID: 17530747)

  • 1. The Hartree-Fock-Heitler-London method, III: Correlated diatomic hydrides.
    Corongiu G
    J Phys Chem A; 2007 Jun; 111(24):5333-42. PubMed ID: 17530747
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Hartree-Fock-Heitler-London method. 2. First and second row diatomic hydrides.
    Corongiu G
    J Phys Chem A; 2006 Oct; 110(40):11584-98. PubMed ID: 17020273
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Multiple bonds and excited states from the Hartree-Fock-Heitler-London method.
    Corongiu G
    J Phys Chem A; 2007 Dec; 111(51):13611-22. PubMed ID: 18052259
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Energy and density analyses of the 1Sigma(u)+ states in the H2 molecule from the united atom to dissociation.
    Corongiu G; Clementi E
    J Phys Chem A; 2009 Dec; 113(52):14791-9. PubMed ID: 20028170
    [TBL] [Abstract][Full Text] [Related]  

  • 5. The limitations of Slater's element-dependent exchange functional from analytic density-functional theory.
    Zope RR; Dunlap BI
    J Chem Phys; 2006 Jan; 124(4):044107. PubMed ID: 16460149
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Energy and density analysis of the H2 molecule from the united atom to dissociation: the 3Sigma(g)+ and 3Sigma(u)+ states.
    Corongiu G; Clementi E
    J Chem Phys; 2009 Nov; 131(18):184306. PubMed ID: 19916603
    [TBL] [Abstract][Full Text] [Related]  

  • 7. 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]  

  • 8. Energy and density analyses of the H2 molecule from the united atom to dissociation: the 1Sigma(g)+ states.
    Corongiu G; Clementi E
    J Chem Phys; 2009 Jul; 131(3):034301. PubMed ID: 19624191
    [TBL] [Abstract][Full Text] [Related]  

  • 9. An efficient fragment-based approach for predicting the ground-state energies and structures of large molecules.
    Li S; Li W; Fang T
    J Am Chem Soc; 2005 May; 127(19):7215-26. PubMed ID: 15884963
    [TBL] [Abstract][Full Text] [Related]  

  • 10. The structure and binding energies of the van der Waals complexes of Ar and N2 with phenol and its cation, studied by high level ab initio and density functional theory calculations.
    Vincent MA; Hillier IH; Morgado CA; Burton NA; Shan X
    J Chem Phys; 2008 Jan; 128(4):044313. PubMed ID: 18247955
    [TBL] [Abstract][Full Text] [Related]  

  • 11. 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]  

  • 12. Ab initio electron propagators in molecules with strong electron-phonon interaction: II. Electron Green's function.
    Dahnovsky Y
    J Chem Phys; 2007 Jul; 127(1):014104. PubMed ID: 17627334
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Energy decomposition analysis of covalent bonds and intermolecular interactions.
    Su P; Li H
    J Chem Phys; 2009 Jul; 131(1):014102. PubMed ID: 19586091
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Representation of Zn(II) complexes in polarizable molecular mechanics. Further refinements of the electrostatic and short-range contributions. Comparisons with parallel ab initio computations.
    Gresh N; Piquemal JP; Krauss M
    J Comput Chem; 2005 Aug; 26(11):1113-30. PubMed ID: 15934064
    [TBL] [Abstract][Full Text] [Related]  

  • 15. 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]  

  • 16. Dissociation energy of ekaplutonium fluoride E126F: the first diatomic with molecular spinors consisting of g atomic spinors.
    Malli GL
    J Chem Phys; 2006 Feb; 124(7):71102. PubMed ID: 16497023
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Exploring the new three-dimensional ab initio interaction energy surface of the Ar-HF complex: rovibrational calculations for Ar-HF and Ar-DF with vibrationally excited diatoms.
    Jankowski P
    J Chem Phys; 2008 Apr; 128(15):154311. PubMed ID: 18433213
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Ab initio treatment of the chemical reaction precursor complex Cl(2P)-HF. 2. Bound states and infrared spectrum.
    Fishchuk AV; Groenenboom GC; van der Avoird A
    J Phys Chem A; 2006 Apr; 110(16):5280-8. PubMed ID: 16623453
    [TBL] [Abstract][Full Text] [Related]  

  • 19. 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]  

  • 20. Ab initio investigation of the electronic structure and bonding of BH, BH(-), and HBBH molecules.
    Miliordos E; Mavridis A
    J Chem Phys; 2008 Apr; 128(14):144308. PubMed ID: 18412446
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 15.