These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


Pubmed for Handhelds

PUBMED FOR HANDHELDS

Journal Abstract Search

1141 related items for PubMed ID: 19137564

  • 1. Ab initio study of the interactions between CO(2) and N-containing organic heterocycles.
    Vogiatzis KD, Mavrandonakis A, Klopper W, Froudakis GE.
    Chemphyschem; 2009 Feb 02; 10(2):374-83. PubMed ID: 19137564
    [Abstract] [Full Text] [Related]

  • 2. 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]

  • 3. 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
    [Abstract] [Full Text] [Related]

  • 4. Interaction of dihydrogen with small and light molecules.
    Hübner O, Klopper W.
    J Phys Chem A; 2007 Mar 29; 111(12):2426-33. PubMed ID: 17388323
    [Abstract] [Full Text] [Related]

  • 5. Extrapolating MP2 and CCSD explicitly correlated correlation energies to the complete basis set limit with first and second row correlation consistent basis sets.
    Hill JG, Peterson KA, Knizia G, Werner HJ.
    J Chem Phys; 2009 Nov 21; 131(19):194105. PubMed ID: 19929044
    [Abstract] [Full Text] [Related]

  • 6. 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]

  • 7. An ab initio benchmark study of hydrogen bonded formamide dimers.
    Frey JA, Leutwyler S.
    J Phys Chem A; 2006 Nov 16; 110(45):12512-8. PubMed ID: 17091957
    [Abstract] [Full Text] [Related]

  • 8. 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
    [Abstract] [Full Text] [Related]

  • 9. Tautomeric equilibrium and hydrogen shifts in tetrazole and triazoles: focal-point analysis and ab initio limit.
    Balabin RM.
    J Chem Phys; 2009 Oct 21; 131(15):154307. PubMed ID: 20568864
    [Abstract] [Full Text] [Related]

  • 10. Complete basis set limit of Ab initio binding energies and geometrical parameters for various typical types of complexes.
    Min SK, Lee EC, Lee HM, Kim DY, Kim D, Kim KS.
    J Comput Chem; 2008 Jun 21; 29(8):1208-21. PubMed ID: 18074343
    [Abstract] [Full Text] [Related]

  • 11. Ab initio calculations on halogen-bonded complexes and comparison with density functional methods.
    Lu YX, Zou JW, Fan JC, Zhao WN, Jiang YJ, Yu QS.
    J Comput Chem; 2009 Apr 15; 30(5):725-32. PubMed ID: 18727160
    [Abstract] [Full Text] [Related]

  • 12. 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]

  • 13. 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
    [Abstract] [Full Text] [Related]

  • 14. 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
    [Abstract] [Full Text] [Related]

  • 15. Molecular dynamics simulations of fluid methane properties using ab initio intermolecular interaction potentials.
    Chao SW, Li AH, Chao SD.
    J Comput Chem; 2009 Sep 04; 30(12):1839-49. PubMed ID: 19090563
    [Abstract] [Full Text] [Related]

  • 16. Differences in structure, energy, and spectrum between neutral, protonated, and deprotonated phenol dimers: comparison of various density functionals with ab initio theory.
    Kołaski M, Kumar A, Singh NJ, Kim KS.
    Phys Chem Chem Phys; 2011 Jan 21; 13(3):991-1001. PubMed ID: 21063580
    [Abstract] [Full Text] [Related]

  • 17. Ammonia-water cation and ammonia dimer cation.
    Kim H, Lee HM.
    J Phys Chem A; 2009 Jun 25; 113(25):6859-64. PubMed ID: 19534557
    [Abstract] [Full Text] [Related]

  • 18. Intermolecular potential energy surface for CS2 dimer.
    Farrokhpour H, Mombeini Z, Namazian M, Coote ML.
    J Comput Chem; 2011 Apr 15; 32(5):797-809. PubMed ID: 20941736
    [Abstract] [Full Text] [Related]

  • 19. Theoretical investigation of hydrogen bonds between CO and HNF2, H2NF, and HNO.
    Li AY.
    J Phys Chem A; 2006 Sep 21; 110(37):10805-16. PubMed ID: 16970375
    [Abstract] [Full Text] [Related]

  • 20. 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]

    Page: [Next] [New Search]
    of 58.