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Journal Abstract Search

298 related items for PubMed ID: 16013080

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  • 3. True stabilization energies for the optimal planar hydrogen-bonded and stacked structures of guanine...cytosine, adenine...thymine, and their 9- and 1-methyl derivatives: complete basis set calculations at the MP2 and CCSD(T) levels and comparison with experiment.
    Jurecka P, Hobza P.
    J Am Chem Soc; 2003 Dec 17; 125(50):15608-13. PubMed ID: 14664608
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  • 4. 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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  • 6. Accurate description of van der Waals complexes by density functional theory including empirical corrections.
    Grimme S.
    J Comput Chem; 2004 Sep 22; 25(12):1463-73. PubMed ID: 15224390
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  • 7. Reference MP2/CBS and CCSD(T) quantum-chemical calculations on stacked adenine dimers. Comparison with DFT-D, MP2.5, SCS(MI)-MP2, M06-2X, CBS(SCS-D) and force field descriptions.
    Morgado CA, Jurecka P, Svozil D, Hobza P, Sponer J.
    Phys Chem Chem Phys; 2010 Apr 14; 12(14):3522-34. PubMed ID: 20336251
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  • 9. Competition between van der Waals and hydrogen bonding interactions: structure of the trans-1-naphthol/N(2) cluster.
    Xantheas SS, Roth W, Fischer I.
    J Phys Chem A; 2005 Oct 27; 109(42):9584-9. PubMed ID: 16866411
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  • 12. Ab initio and DFT studies on van der Waals trimers: the OCS.(CO2)2 complexes.
    Valdés H, Sordo JA.
    J Comput Chem; 2002 Mar 27; 23(4):444-55. PubMed ID: 11908080
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  • 13. Interactions of boranes and carboranes with aromatic systems: CCSD(T) complete basis set calculations and DFT-SAPT analysis of energy components.
    Sedlák R, Fanfrlík J, Hnyk D, Hobza P, Lepsík M.
    J Phys Chem A; 2010 Oct 28; 114(42):11304-11. PubMed ID: 20831237
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  • 16. Ab initio study of substituent effects in the interactions of dimethyl ether with aromatic rings.
    Amicangelo JC, Gung BW, Irwin DG, Romano NC.
    Phys Chem Chem Phys; 2008 May 21; 10(19):2695-705. PubMed ID: 18464984
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  • 18. Scope and limitations of the SCS-MP2 method for stacking and hydrogen bonding interactions.
    Bachorz RA, Bischoff FA, Höfener S, Klopper W, Ottiger P, Leist R, Frey JA, Leutwyler S.
    Phys Chem Chem Phys; 2008 May 21; 10(19):2758-66. PubMed ID: 18464991
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  • 19. Comparative DFT study of van der Waals complexes: rare-gas dimers, alkaline-earth dimers, zinc dimer, and zinc-rare-gas dimers.
    Zhao Y, Truhlar DG.
    J Phys Chem A; 2006 Apr 20; 110(15):5121-9. PubMed ID: 16610834
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