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Journal Abstract Search

237 related items for PubMed ID: 15606275

  • 1. Computational study of hydrogen binding by metal-organic framework-5.
    Sagara T, Klassen J, Ganz E.
    J Chem Phys; 2004 Dec 22; 121(24):12543-7. PubMed ID: 15606275
    [Abstract] [Full Text] [Related]

  • 2. Binding energies of hydrogen molecules to isoreticular metal-organic framework materials.
    Sagara T, Klassen J, Ortony J, Ganz E.
    J Chem Phys; 2005 Jul 01; 123(1):014701. PubMed ID: 16035857
    [Abstract] [Full Text] [Related]

  • 3. Theoretical characterization of dihydrogen adducts with alkaline cations.
    Vitillo JG, Damin A, Zecchina A, Ricchiardi G.
    J Chem Phys; 2005 Mar 15; 122(11):114311. PubMed ID: 15836219
    [Abstract] [Full Text] [Related]

  • 4. Ab initio study of hydrogen adsorption in MOF-5.
    Sillar K, Hofmann A, Sauer J.
    J Am Chem Soc; 2009 Mar 25; 131(11):4143-50. PubMed ID: 19253977
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  • 5. An ab initio benchmark study of hydrogen bonded formamide dimers.
    Frey JA, Leutwyler S.
    J Phys Chem A; 2006 Nov 16; 110(45):12512-8. PubMed ID: 17091957
    [Abstract] [Full Text] [Related]

  • 6. 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 22; 111(46):11922-9. PubMed ID: 17963367
    [Abstract] [Full Text] [Related]

  • 7. Efficient bond function basis set for pi-pi interaction energies.
    Ding Y, Mei Y, Zhang JZ, Tao FM.
    J Comput Chem; 2008 Jan 30; 29(2):275-9. PubMed ID: 17568433
    [Abstract] [Full Text] [Related]

  • 8. Ab initio study of hydrogen-bond formation between aliphatic and phenolic hydroxy groups and selected amino acid side chains.
    Nagy PI, Erhardt PW.
    J Phys Chem A; 2008 May 08; 112(18):4342-54. PubMed ID: 18373368
    [Abstract] [Full Text] [Related]

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  • 10. Ab initio and density functional theory reinvestigation of gas-phase sulfuric acid monohydrate and ammonium hydrogen sulfate.
    Kurtén T, Sundberg MR, Vehkamäki H, Noppel M, Blomqvist J, Kulmala M.
    J Phys Chem A; 2006 Jun 08; 110(22):7178-88. PubMed ID: 16737269
    [Abstract] [Full Text] [Related]

  • 11. Ab initio study of the interactions between CO(2) and N-containing organic heterocycles.
    Vogiatzis KD, Mavrandonakis A, Klopper W, Froudakis GE.
    Chemphyschem; 2009 Feb 02; 10(2):374-83. PubMed ID: 19137564
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  • 13. Isomers of the uracil dimer: an ab initio benchmark study.
    Frey JA, Müller A, Losada M, Leutwyler S.
    J Phys Chem B; 2007 Apr 05; 111(13):3534-42. PubMed ID: 17388514
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  • 15. Interaction of molecular hydrogen with microporous metal organic framework materials at room temperature.
    Nijem N, Veyan JF, Kong L, Li K, Pramanik S, Zhao Y, Li J, Langreth D, Chabal YJ.
    J Am Chem Soc; 2010 Feb 10; 132(5):1654-64. PubMed ID: 20070080
    [Abstract] [Full Text] [Related]

  • 16. Calculation of weakly polar interaction energies in polypeptides using density functional and local Møller-Plesset perturbation theory.
    Csontos J, Palermo NY, Murphy RF, Lovas S.
    J Comput Chem; 2008 Jun 10; 29(8):1344-52. PubMed ID: 18172837
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  • 19. Periodic local Møller-Plesset second order perturbation theory method applied to molecular crystals: study of solid NH3 and CO2 using extended basis sets.
    Maschio L, Usvyat D, Schütz M, Civalleri B.
    J Chem Phys; 2010 Apr 07; 132(13):134706. PubMed ID: 20387953
    [Abstract] [Full Text] [Related]

  • 20. Adsorption and desorption of hydrogen on metal-organic framework materials for storage applications: comparison with other nanoporous materials.
    Thomas KM.
    Dalton Trans; 2009 Mar 07; (9):1487-505. PubMed ID: 19421589
    [Abstract] [Full Text] [Related]

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