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Journal Abstract Search

438 related items for PubMed ID: 16866411

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  • 2. 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 28; 128(4):044313. PubMed ID: 18247955
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  • 3. On geometries of stacked and H-bonded nucleic acid base pairs determined at various DFT, MP2, and CCSD(T) levels up to the CCSD(T)/complete basis set limit level.
    Dabkowska I, Jurecka P, Hobza P.
    J Chem Phys; 2005 May 22; 122(20):204322. PubMed ID: 15945739
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  • 4. High-level ab initio calculations for the four low-lying families of minima of (H2O)20. II. Spectroscopic signatures of the dodecahedron, fused cubes, face-sharing pentagonal prisms, and edge-sharing pentagonal prisms hydrogen bonding networks.
    Fanourgakis GS, Aprà E, de Jong WA, Xantheas SS.
    J Chem Phys; 2005 Apr 01; 122(13):134304. PubMed ID: 15847462
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  • 5. The weak hydrogen bond in the fluorobenzene-ammonia van der Waals complex: Insights into the effects of electron withdrawing substituents on pi versus in-plane bonding.
    Tonge NM, MacMahon EC, Pugliesi I, Cockett MC.
    J Chem Phys; 2007 Apr 21; 126(15):154319. PubMed ID: 17461638
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  • 8. 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
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  • 15. State of the art theoretical study and comparison to experiment for the phenol...argon complex.
    Cerný J, Tong X, Hobza P, Müller-Dethlefs K.
    J Chem Phys; 2008 Mar 21; 128(11):114319. PubMed ID: 18361583
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