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Journal Abstract Search

466 related items for PubMed ID: 18172837

  • 1. 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; 29(8):1344-52. PubMed ID: 18172837
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  • 2. Highly accurate CCSD(T) and DFT-SAPT stabilization energies of H-bonded and stacked structures of the uracil dimer.
    Pitonák M, Riley KE, Neogrády P, Hobza P.
    Chemphyschem; 2008 Aug 04; 9(11):1636-44. PubMed ID: 18574830
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  • 3. Approximations to complete basis set-extrapolated, highly correlated non-covalent interaction energies.
    Mackie ID, DiLabio GA.
    J Chem Phys; 2011 Oct 07; 135(13):134318. PubMed ID: 21992316
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  • 6. 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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  • 7. 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
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  • 11. Estimated MP2 and CCSD(T) interaction energies of n-alkane dimers at the basis set limit: comparison of the methods of Helgaker et al. and Feller.
    Tsuzuki S, Honda K, Uchimaru T, Mikami M.
    J Chem Phys; 2006 Mar 21; 124(11):114304. PubMed ID: 16555885
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  • 12. 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
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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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  • 17. Basis set convergence of the coupled-cluster correction, δ(MP2)(CCSD(T)): best practices for benchmarking non-covalent interactions and the attendant revision of the S22, NBC10, HBC6, and HSG databases.
    Marshall MS, Burns LA, Sherrill CD.
    J Chem Phys; 2011 Nov 21; 135(19):194102. PubMed ID: 22112061
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  • 19. Accurate ab initio binding energies of alkaline earth metal clusters.
    Lee JS.
    J Phys Chem A; 2005 Dec 29; 109(51):11927-32. PubMed ID: 16366644
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