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

302 related items for PubMed ID: 18988249

  • 1.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 2. A modified electronegativity equalization method for fast and accurate calculation of atomic charges in large biological molecules.
    Ouyang Y, Ye F, Liang Y.
    Phys Chem Chem Phys; 2009 Aug 07; 11(29):6082-9. PubMed ID: 19606317
    [Abstract] [Full Text] [Related]

  • 3. The electronegativity equalization method and the split charge equilibration applied to organic systems: parametrization, validation, and comparison.
    Verstraelen T, Van Speybroeck V, Waroquier M.
    J Chem Phys; 2009 Jul 28; 131(4):044127. PubMed ID: 19655857
    [Abstract] [Full Text] [Related]

  • 4.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 5. Fast, efficient generation of high-quality atomic charges. AM1-BCC model: II. Parameterization and validation.
    Jakalian A, Jack DB, Bayly CI.
    J Comput Chem; 2002 Dec 28; 23(16):1623-41. PubMed ID: 12395429
    [Abstract] [Full Text] [Related]

  • 6. A new force field (ECEPP-05) for peptides, proteins, and organic molecules.
    Arnautova YA, Jagielska A, Scheraga HA.
    J Phys Chem B; 2006 Mar 16; 110(10):5025-44. PubMed ID: 16526746
    [Abstract] [Full Text] [Related]

  • 7.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 8. Prediction of the intrinsic hydrogen bond acceptor strength of organic compounds by local molecular parameters.
    Schwöbel J, Ebert RU, Kühne R, Schüürmann G.
    J Chem Inf Model; 2009 Apr 16; 49(4):956-62. PubMed ID: 19296715
    [Abstract] [Full Text] [Related]

  • 9.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 10.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 11. Prediction of the intrinsic hydrogen bond acceptor strength of chemical substances from molecular structure.
    Schwöbel J, Ebert RU, Kühne R, Schüürmann G.
    J Phys Chem A; 2009 Sep 17; 113(37):10104-12. PubMed ID: 19694415
    [Abstract] [Full Text] [Related]

  • 12. Fast calculation of quantum chemical molecular descriptors from the electronegativity equalization method.
    Bultinck P, Langenaeker W, Carbó-Dorca R, Tollenaere JP.
    J Chem Inf Comput Sci; 2003 Sep 17; 43(2):422-8. PubMed ID: 12653504
    [Abstract] [Full Text] [Related]

  • 13. Modeling of molecular charge distribution on the basis of experimental infrared intensities and first-principles calculations: the case of CH bonds.
    Milani A, Castiglioni C.
    J Phys Chem A; 2010 Jan 14; 114(1):624-32. PubMed ID: 19888738
    [Abstract] [Full Text] [Related]

  • 14. Optimized and parallelized implementation of the electronegativity equalization method and the atom-bond electronegativity equalization method.
    Vareková RS, Koca J.
    J Comput Chem; 2006 Feb 14; 27(3):396-405. PubMed ID: 16381078
    [Abstract] [Full Text] [Related]

  • 15.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 16. Hydration of Li+ -ion in atom-bond electronegativity equalization method-7P water: a molecular dynamics simulation study.
    Li X, Yang ZZ.
    J Chem Phys; 2005 Feb 22; 122(8):84514. PubMed ID: 15836070
    [Abstract] [Full Text] [Related]

  • 17. Density functional theory augmented with an empirical dispersion term. Interaction energies and geometries of 80 noncovalent complexes compared with ab initio quantum mechanics calculations.
    Jurecka P, Cerný J, Hobza P, Salahub DR.
    J Comput Chem; 2007 Jan 30; 28(2):555-69. PubMed ID: 17186489
    [Abstract] [Full Text] [Related]

  • 18.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 19. Comparison of basis set effects and the performance of ab initio and DFT methods for probing equilibrium fluctuations.
    Walker RC, Mercer IP, Gould IR, Klug DR.
    J Comput Chem; 2007 Jan 30; 28(2):478-90. PubMed ID: 17186476
    [Abstract] [Full Text] [Related]

  • 20. Improving the accuracy of low level quantum chemical calculation for absorption energies: the genetic algorithm and neural network approach.
    Gao T, Shi LL, Li HB, Zhao SS, Li H, Sun SL, Su ZM, Lu YH.
    Phys Chem Chem Phys; 2009 Jul 07; 11(25):5124-9. PubMed ID: 19562144
    [Abstract] [Full Text] [Related]

    Page: [Next] [New Search]
    of 16.