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Journal Abstract Search

517 related items for PubMed ID: 15527339

  • 1. Well-balanced basis sets for second-order Møller-Plesset treatment of argon-aromatic molecule complexes.
    Makarewicz J.
    J Chem Phys; 2004 Nov 08; 121(18):8755-68. PubMed ID: 15527339
    [Abstract] [Full Text] [Related]

  • 2. Potential energy surface, van der Waals motions, and vibronic transitions in phenol-argon complex.
    Makarewicz J.
    J Chem Phys; 2006 Feb 28; 124(8):084310. PubMed ID: 16512719
    [Abstract] [Full Text] [Related]

  • 3. Fully dimensional ab initio description of the structure and energetics of azabenzene-argon complexes.
    Makarewicz J.
    J Chem Phys; 2005 Oct 15; 123(15):154302. PubMed ID: 16252943
    [Abstract] [Full Text] [Related]

  • 4. Basis set and electron correlation effects on the polarizability and second hyperpolarizability of model open-shell pi-conjugated systems.
    Champagne B, Botek E, Nakano M, Nitta T, Yamaguchi K.
    J Chem Phys; 2005 Mar 15; 122(11):114315. PubMed ID: 15839724
    [Abstract] [Full Text] [Related]

  • 5. Potential-energy surface, dynamics of van der Waals motions, and vibronic transitions in p-difluorobenzene-argon complex.
    Makarewicz J.
    J Chem Phys; 2005 Mar 15; 122(11):114312. PubMed ID: 15836220
    [Abstract] [Full Text] [Related]

  • 6. 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
    [Abstract] [Full Text] [Related]

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  • 8. Is spin-component scaled second-order Møller-Plesset perturbation theory an appropriate method for the study of noncovalent interactions in molecules?
    Antony J, Grimme S.
    J Phys Chem A; 2007 Jun 07; 111(22):4862-8. PubMed ID: 17506533
    [Abstract] [Full Text] [Related]

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  • 10. 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
    [Abstract] [Full Text] [Related]

  • 11. 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
    [Abstract] [Full Text] [Related]

  • 12. Microwave spectra of the Xe-N2 van der Waals complex: a comparison of experiment and theory.
    Wen Q, Jäger W.
    J Chem Phys; 2005 Jun 01; 122(21):214310. PubMed ID: 15974741
    [Abstract] [Full Text] [Related]

  • 13. Hybrid correlation models based on active-space partitioning: seeking accurate O(N5) ab initio methods for bond breaking.
    Bochevarov AD, Temelso B, Sherrill CD.
    J Chem Phys; 2006 Aug 07; 125(5):054109. PubMed ID: 16942205
    [Abstract] [Full Text] [Related]

  • 14. Accurate description of van der Waals complexes by density functional theory including empirical corrections.
    Grimme S.
    J Comput Chem; 2004 Sep 07; 25(12):1463-73. PubMed ID: 15224390
    [Abstract] [Full Text] [Related]

  • 15. Second-order Møller-Plesset theory with linear R12 terms (MP2-R12) revisited: auxiliary basis set method and massively parallel implementation.
    Valeev EF, Janssen CL.
    J Chem Phys; 2004 Jul 15; 121(3):1214-27. PubMed ID: 15260663
    [Abstract] [Full Text] [Related]

  • 16. 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
    [Abstract] [Full Text] [Related]

  • 17. Auxiliary basis sets for density fitting-MP2 calculations: Nonrelativistic triple-zeta all-electron correlation consistent basis sets for the 3d elements Sc-Zn.
    Hill JG, Platts JA.
    J Chem Phys; 2008 Jan 28; 128(4):044104. PubMed ID: 18247927
    [Abstract] [Full Text] [Related]

  • 18. 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
    [Abstract] [Full Text] [Related]

  • 19. Accurate ab initio structure, dissociation energy, and vibrational spectroscopy of the F(-)-CH4 anion complex.
    Czakó G, Braams BJ, Bowman JM.
    J Phys Chem A; 2008 Aug 14; 112(32):7466-72. PubMed ID: 18651724
    [Abstract] [Full Text] [Related]

  • 20. Accurate calculations of intermolecular interaction energies using explicitly correlated wave functions.
    Marchetti O, Werner HJ.
    Phys Chem Chem Phys; 2008 Jun 21; 10(23):3400-9. PubMed ID: 18535723
    [Abstract] [Full Text] [Related]

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