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487 related items for PubMed ID: 18485767

  • 1. Molecular potential energies in dodecahedron cell of methane hydrate and dispersion correction for DFT.
    Du QS, Li DP, Liu PJ, Huang RB.
    J Mol Graph Model; 2008 Sep; 27(2):140-6. PubMed ID: 18485767
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  • 2. Appropriate description of intermolecular interactions in the methane hydrates: an assessment of DFT methods.
    Liu Y, Zhao J, Li F, Chen Z.
    J Comput Chem; 2013 Jan 15; 34(2):121-31. PubMed ID: 22949382
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  • 3. Ab initio and analytic intermolecular potentials for Ar-CF4.
    Vayner G, Alexeev Y, Wang J, Windus TL, Hase WL.
    J Phys Chem A; 2006 Mar 09; 110(9):3174-8. PubMed ID: 16509641
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  • 5. 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. Intermolecular potentials of the methane dimer calculated with Møller-Plesset perturbation theory and density functional theory.
    Li AH, Chao SD.
    J Chem Phys; 2006 Sep 07; 125(9):094312. PubMed ID: 16965085
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  • 12. Molecular dynamics simulations of fluid methane properties using ab initio intermolecular interaction potentials.
    Chao SW, Li AH, Chao SD.
    J Comput Chem; 2009 Sep 07; 30(12):1839-49. PubMed ID: 19090563
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  • 13. Accurate interaction energies at density functional theory level by means of an efficient dispersion correction.
    Krishtal A, Vanommeslaeghe K, Olasz A, Veszprémi T, Van Alsenoy C, Geerlings P.
    J Chem Phys; 2009 May 07; 130(17):174101. PubMed ID: 19425763
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  • 14. Many-body interaction in glycine-(water)3 complex using density functional theory method.
    Chaudhari A, Sahu PK, Lee SL.
    J Chem Phys; 2004 Jan 01; 120(1):170-4. PubMed ID: 15267274
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  • 15. Ab initio intermolecular potential energy surface and second pressure virial coefficients of methane.
    Hellmann R, Bich E, Vogel E.
    J Chem Phys; 2008 Jun 07; 128(21):214303. PubMed ID: 18537418
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  • 16. Theoretical study of the potential energy surface for the interaction of cisplatin and their aquated species with water.
    Lopes JF, Rocha WR, Dos Santos HF, De Almeida WB.
    J Chem Phys; 2008 Apr 28; 128(16):165103. PubMed ID: 18447507
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  • 18. Theoretical study of CH4-CH4, CHF3-CH4, CH4-H2O, and CHF3-H2O dimers.
    Martins JB, Politi JR, Garcia E, Vilela AF, Gargano R.
    J Phys Chem A; 2009 Dec 31; 113(52):14818-23. PubMed ID: 19670828
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  • 19. Aliphatic C-H/pi interactions: Methane-benzene, methane-phenol, and methane-indole complexes.
    Ringer AL, Figgs MS, Sinnokrot MO, Sherrill CD.
    J Phys Chem A; 2006 Sep 21; 110(37):10822-8. PubMed ID: 16970377
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  • 20. Benchmark database of accurate (MP2 and CCSD(T) complete basis set limit) interaction energies of small model complexes, DNA base pairs, and amino acid pairs.
    Jurecka P, Sponer J, Cerný J, Hobza P.
    Phys Chem Chem Phys; 2006 May 07; 8(17):1985-93. PubMed ID: 16633685
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