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Journal Abstract Search

794 related items for PubMed ID: 22176502

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  • 23. Ab initio intermolecular potential energy surface, bound states, and microwave spectra for the van der Waals complex Ne-HCCCN.
    Zhou Y, Xie D.
    J Chem Phys; 2005 May 01; 122(17):174312. PubMed ID: 15910037
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  • 24. Ab initio potential energy surface and bound states for the Kr-OCS complex.
    Feng E, Sun C, Yu C, Shao X, Huang W.
    J Chem Phys; 2011 Sep 28; 135(12):124301. PubMed ID: 21974516
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  • 25. Ab initio intermolecular potential energy surfaces of the water-rare gas atom complexes.
    Makarewicz J.
    J Chem Phys; 2008 Nov 14; 129(18):184310. PubMed ID: 19045406
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  • 27. Structures and energetics of H(6)(+) clusters.
    Hao Q, Simmonett AC, Yamaguchi Y, Fang DC, Schaefer HF.
    J Phys Chem A; 2009 Dec 03; 113(48):13608-20. PubMed ID: 19852448
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  • 31. Pseudo-Jahn-Teller origin of the low barrier hydrogen bond in N(2)H(7) (+).
    García-Fernández P, García-Canales L, García-Lastra JM, Junquera J, Moreno M, Aramburu JA.
    J Chem Phys; 2008 Sep 28; 129(12):124313. PubMed ID: 19045029
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  • 33. Ab initio potential energy surface and intermolecular vibrations of the naphthalene-argon van der Waals complex.
    Makarewicz J.
    J Chem Phys; 2011 Feb 14; 134(6):064322. PubMed ID: 21322695
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  • 34. Comparison of the catalytic activity of Au3, Au4+, Au5, and Au5- in the gas-phase reaction of H2 and O2 to form hydrogen peroxide: a density functional theory investigation.
    Joshi AM, Delgass WN, Thomson KT.
    J Phys Chem B; 2005 Dec 01; 109(47):22392-406. PubMed ID: 16853917
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  • 35. Absolute rate calculations: atom and proton transfers in hydrogen-bonded systems.
    Barroso M, Arnaut LG, Formosinho SJ.
    Chemphyschem; 2005 Feb 01; 6(2):363-71. PubMed ID: 15751360
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  • 37. Ab initio potential energy surface and rovibrational spectrum of Ar-HCCCN.
    Zhou Y, Xie D.
    J Chem Phys; 2004 Aug 08; 121(6):2630-5. PubMed ID: 15281862
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