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.


Pubmed for Handhelds

PUBMED FOR HANDHELDS

Journal Abstract Search

466 related items for PubMed ID: 15268193

  • 1. Toward subchemical accuracy in computational thermochemistry: focal point analysis of the heat of formation of NCO and [H,N,C,O] isomers.
    Schuurman MS, Muir SR, Allen WD, Schaefer HF.
    J Chem Phys; 2004 Jun 22; 120(24):11586-99. PubMed ID: 15268193
    [Abstract] [Full Text] [Related]

  • 2. Thermochemistry of key soot formation intermediates: C3H3 isomers.
    Wheeler SE, Robertson KA, Allen WD, Schaefer HF, Bomble YJ, Stanton JF.
    J Phys Chem A; 2007 May 17; 111(19):3819-30. PubMed ID: 17402717
    [Abstract] [Full Text] [Related]

  • 3. 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 28; 128(24):244113. PubMed ID: 18601323
    [Abstract] [Full Text] [Related]

  • 4. High-level ab initio predictions for the ionization energy, bond dissociation energies, and heats of formations of iron carbide (FeC) and its cation (FeC+).
    Lau KC, Chang YC, Lam CS, Ng CY.
    J Phys Chem A; 2009 Dec 31; 113(52):14321-8. PubMed ID: 19775110
    [Abstract] [Full Text] [Related]

  • 5. Thermochemistry of the HOSO radical, a key intermediate in fossil fuel combustion.
    Wheeler SE, Schaefer HF.
    J Phys Chem A; 2009 Jun 18; 113(24):6779-88. PubMed ID: 19459665
    [Abstract] [Full Text] [Related]

  • 6. The problematic C2H4+F2 reaction barrier.
    Feng H, Allen WD.
    J Chem Phys; 2010 Mar 07; 132(9):094304. PubMed ID: 20210395
    [Abstract] [Full Text] [Related]

  • 7. Thinking out of the black box: accurate barrier heights of 1,3-dipolar cycloadditions of ozone with acetylene and ethylene.
    Wheeler SE, Ess DH, Houk KN.
    J Phys Chem A; 2008 Feb 28; 112(8):1798-807. PubMed ID: 18247512
    [Abstract] [Full Text] [Related]

  • 8. Thermodynamic properties of the C5, C6, and C8 n-alkanes from ab initio electronic structure theory.
    Pollack L, Windus TL, de Jong WA, Dixon DA.
    J Phys Chem A; 2005 Aug 11; 109(31):6934-8. PubMed ID: 16834051
    [Abstract] [Full Text] [Related]

  • 9. Ab initio thermochemistry involving heavy atoms: an investigation of the reactions Hg + IX (X = I, Br, Cl, O).
    Shepler BC, Balabanov NB, Peterson KA.
    J Phys Chem A; 2005 Nov 17; 109(45):10363-72. PubMed ID: 16833332
    [Abstract] [Full Text] [Related]

  • 10. Heats of formation of diphosphene, phosphinophosphinidene, diphosphine, and their methyl derivatives, and mechanism of the borane-assisted hydrogen release.
    Matus MH, Nguyen MT, Dixon DA.
    J Phys Chem A; 2007 Mar 08; 111(9):1726-36. PubMed ID: 17298044
    [Abstract] [Full Text] [Related]

  • 11. High accuracy ab initio studies of Li6+, Li6-, and three isomers of Li6.
    Temelso B, Sherrill CD.
    J Chem Phys; 2005 Feb 08; 122(6):064315. PubMed ID: 15740380
    [Abstract] [Full Text] [Related]

  • 12. Enthalpy of formation and anharmonic force field of diacetylene.
    Simmonett AC, Schaefer HF, Allen WD.
    J Chem Phys; 2009 Jan 28; 130(4):044301. PubMed ID: 19191379
    [Abstract] [Full Text] [Related]

  • 13. High-level ab initio predictions for the ionization energies and heats of formation of five-membered-ring molecules: thiophene, furan, pyrrole, 1,3-cyclopentadiene, and borole, C4H4X/C4H4X+ (X = S, O, NH, CH2, and BH).
    Lo PK, Lau KC.
    J Phys Chem A; 2011 Feb 10; 115(5):932-9. PubMed ID: 21210670
    [Abstract] [Full Text] [Related]

  • 14. High-level ab initio predictions for the ionization energy, bond dissociation energies, and heats of formation of nickel carbide (NiC) and its cation (NiC+).
    Lau KC, Chang YC, Shi X, Ng CY.
    J Chem Phys; 2010 Sep 21; 133(11):114304. PubMed ID: 20866136
    [Abstract] [Full Text] [Related]

  • 15. Thermochemistry of disputed soot formation intermediates C4H3 and C4H5.
    Wheeler SE, Allen WD, Schaefer HF.
    J Chem Phys; 2004 Nov 08; 121(18):8800-13. PubMed ID: 15527344
    [Abstract] [Full Text] [Related]

  • 16. In search of definitive signatures of the elusive NCCO radical.
    Simmonett AC, Evangelista FA, Allen WD, Schaefer HF.
    J Chem Phys; 2007 Jul 07; 127(1):014306. PubMed ID: 17627345
    [Abstract] [Full Text] [Related]

  • 17. Reliable predictions of the thermochemistry of boron-nitrogen hydrogen storage compounds: BxNxHy, x = 2, 3.
    Matus MH, Anderson KD, Camaioni DM, Autrey ST, Dixon DA.
    J Phys Chem A; 2007 May 24; 111(20):4411-21. PubMed ID: 17444621
    [Abstract] [Full Text] [Related]

  • 18. The highly anharmonic BH5 potential energy surface characterized in the ab initio limit.
    Schuurman MS, Allen WD, Schleyer Pv, Schaefer HF.
    J Chem Phys; 2005 Mar 08; 122(10):104302. PubMed ID: 15836311
    [Abstract] [Full Text] [Related]

  • 19. Explicitly correlated combined coupled-cluster and perturbation methods.
    Shiozaki T, Valeev EF, Hirata S.
    J Chem Phys; 2009 Jul 28; 131(4):044118. PubMed ID: 19655848
    [Abstract] [Full Text] [Related]

  • 20. Ab initio thermochemistry using optimal-balance models with isodesmic corrections: the ATOMIC protocol.
    Bakowies D.
    J Chem Phys; 2009 Apr 14; 130(14):144113. PubMed ID: 19368435
    [Abstract] [Full Text] [Related]

    Page: [Next] [New Search]
    of 24.