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 *

203 related articles for article (PubMed ID: 16689568)

  • 1. Correlation energy extrapolation by intrinsic scaling. V. Electronic energy, atomization energy, and enthalpy of formation of water.
    Bytautas L; Ruedenberg K
    J Chem Phys; 2006 May; 124(17):174304. PubMed ID: 16689568
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Accurate ab initio potential energy curve of F2. I. Nonrelativistic full valence configuration interaction energies using the correlation energy extrapolation by intrinsic scaling method.
    Bytautas L; Nagata T; Gordon MS; Ruedenberg K
    J Chem Phys; 2007 Oct; 127(16):164317. PubMed ID: 17979348
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Accurate ab initio potential energy curve of O2. I. Nonrelativistic full configuration interaction valence correlation by the correlation energy extrapolation by intrinsic scaling method.
    Bytautas L; Ruedenberg K
    J Chem Phys; 2010 Feb; 132(7):074109. PubMed ID: 20170217
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Correlation energy extrapolation by intrinsic scaling. IV. Accurate binding energies of the homonuclear diatomic molecules carbon, nitrogen, oxygen, and fluorine.
    Bytautas L; Ruedenberg K
    J Chem Phys; 2005 Apr; 122(15):154110. PubMed ID: 15945628
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Direct ab initio dynamics study on the rate constants and kinetics isotope effects of CH(3)O+H-->CH(2)O+H(2) reaction.
    Li QS; Zhang Y; Zhang S
    J Chem Phys; 2004 Nov; 121(19):9474-80. PubMed ID: 15538868
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Correlation energy extrapolation by intrinsic scaling. I. Method and application to the neon atom.
    Bytautas L; Ruedenberg K
    J Chem Phys; 2004 Dec; 121(22):10905-18. PubMed ID: 15634041
    [TBL] [Abstract][Full Text] [Related]  

  • 7. 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]  

  • 8. An ab initio study of the lowest electronic states of yttrium dicarbide, YC2.
    Puzzarini C; Peterson KA
    J Chem Phys; 2005 Feb; 122(8):84323. PubMed ID: 15836055
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Potential energy surface for ground-state H2S via scaling of the external correlation, comparison with extrapolation to complete basis set limit, and use in reaction dynamics.
    Song YZ; Caridade PJ; Varandas AJ
    J Phys Chem A; 2009 Aug; 113(32):9213-9. PubMed ID: 19624111
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Correlation energy extrapolation by intrinsic scaling. II. The water and the nitrogen molecule.
    Bytautas L; Ruedenberg K
    J Chem Phys; 2004 Dec; 121(22):10919-34. PubMed ID: 15634042
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Electronic structure analysis of the ground-state potential energy curve of Be(2).
    Schmidt MW; Ivanic J; Ruedenberg K
    J Phys Chem A; 2010 Aug; 114(33):8687-96. PubMed ID: 20507164
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Accurate ab initio potentials at low cost via correlation scaling and extrapolation: application to CO(A 1Pi).
    Varandas AJ
    J Chem Phys; 2007 Sep; 127(11):114316. PubMed ID: 17887846
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Accurate ab initio double many-body expansion potential energy surface for ground-state H2S by extrapolation to the complete basis set limit.
    Song YZ; Varandas AJ
    J Chem Phys; 2009 Apr; 130(13):134317. PubMed ID: 19355742
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Basis-set extrapolation techniques for the accurate calculation of molecular equilibrium geometries using coupled-cluster theory.
    Heckert M; Kállay M; Tew DP; Klopper W; Gauss J
    J Chem Phys; 2006 Jul; 125(4):44108. PubMed ID: 16942135
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Multireference configuration interaction studies on the ground and excited states of N2O2: the potential energy curves of N2O2 along N-N distance.
    Li Y; Vo CK
    J Chem Phys; 2006 Sep; 125(9):094303. PubMed ID: 16965076
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Accurate calculations of intermolecular interaction energies using explicitly correlated wave functions.
    Marchetti O; Werner HJ
    Phys Chem Chem Phys; 2008 Jun; 10(23):3400-9. PubMed ID: 18535723
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Two-electron reduced density matrices from the anti-Hermitian contracted Schrodinger equation: enhanced energies and properties with larger basis sets.
    Mazziotti DA
    J Chem Phys; 2007 May; 126(18):184101. PubMed ID: 17508786
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Simple coupled-cluster singles and doubles method with perturbative inclusion of triples and explicitly correlated geminals: The CCSD(T)R12 model.
    Valeev EF; Daniel Crawford T
    J Chem Phys; 2008 Jun; 128(24):244113. PubMed ID: 18601323
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Accurate double many-body expansion potential energy surface for ground-state HS2 based on ab initio data extrapolated to the complete basis set limit.
    Song YZ; Varandas AJ
    J Phys Chem A; 2011 Jun; 115(21):5274-83. PubMed ID: 21557631
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Basis set convergence studies of Hartree-Fock calculations of molecular properties within the resolution of the identity approximation.
    Artemyev A; Bibikov A; Zayets V; Bodrenko I
    J Chem Phys; 2005 Jul; 123(2):24103. PubMed ID: 16050737
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 11.