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1327 related items for PubMed ID: 19655831

  • 41. Theoretical analysis of the electronic properties of the sex pheromone and its analogue derivatives in the female processionary moth Thaumetopoea pytiocampa.
    Chamorro ER, Sequeira AF, Zalazar MF, Peruchena NM.
    Bioorg Med Chem; 2008 Sep 15; 16(18):8535-45. PubMed ID: 18752964
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  • 42. Role of charge transfer interaction and conjugation length on electrical polarizability of doped trans-polyacetylene oligomers.
    Sen S, Chakrabarti S.
    J Phys Chem A; 2007 Nov 22; 111(46):11867-72. PubMed ID: 17960919
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  • 43. Energy of charged states in the RDX crystal: trapping of charge-transfer pairs as a possible mechanism for initiating detonation.
    Tsiaousis D, Munn RW.
    J Chem Phys; 2005 May 08; 122(18):184708. PubMed ID: 15918748
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  • 44. Molecular dynamics simulations on the local order of liquid and amorphous ZnTe.
    Rino JP, Borges D, Mota RC, Silva MA.
    J Chem Phys; 2008 May 14; 128(18):184704. PubMed ID: 18532833
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  • 45. Study of peptide conformation in terms of the ABEEM/MM method.
    Yang ZZ, Zhang Q.
    J Comput Chem; 2006 Jan 15; 27(1):1-10. PubMed ID: 16235260
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  • 46. Multidimensional infrared spectroscopy for molecular vibrational modes with dipolar interactions, anharmonicity, and nonlinearity of dipole moments and polarizability.
    Hyeon-Deuk K, Tanimura Y.
    J Chem Phys; 2005 Dec 08; 123(22):224310. PubMed ID: 16375479
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  • 47. A systemic investigation of hydrogen peroxide clusters (H2O2)n (n = 1-6) and liquid-state hydrogen peroxide: based on atom-bond electronegativity equalization method fused into molecular mechanics and molecular dynamics.
    Yu CY, Yang ZZ.
    J Phys Chem A; 2011 Mar 31; 115(12):2615-26. PubMed ID: 21388113
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  • 48. Inclusion of the quadrupole moment when describing polarization. The effect of the dipole-quadrupole polarizability.
    Holt A, Karlström G.
    J Comput Chem; 2008 Sep 31; 29(12):2033-8. PubMed ID: 18432620
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  • 49. Gaussian induced dipole polarization model.
    Elking D, Darden T, Woods RJ.
    J Comput Chem; 2007 May 31; 28(7):1261-74. PubMed ID: 17299773
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  • 50. A periodic charge-dipole electrostatic model: parametrization for silver slabs.
    Bodrenko IV, Sierka M, Fabiano E, Della Sala F.
    J Chem Phys; 2012 Oct 07; 137(13):134702. PubMed ID: 23039605
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  • 51. Charge conservation in electronegativity equalization and its implications for the electrostatic properties of fluctuating-charge models.
    Chen J, Martínez TJ.
    J Chem Phys; 2009 Jul 28; 131(4):044114. PubMed ID: 19655844
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  • 52. Describing Molecular Polarizability by a Bond Capacity Model.
    Poier PP, Jensen F.
    J Chem Theory Comput; 2019 May 14; 15(5):3093-3107. PubMed ID: 30920212
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  • 53. A physical model for the longitudinal polarizabilities of polymer chains.
    Berger JA, de Boeij PL, van Leeuwen R.
    J Chem Phys; 2005 Nov 01; 123(17):174910. PubMed ID: 16375572
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  • 54. A generalization of the charge equilibration method for nonmetallic materials.
    Nistor RA, Polihronov JG, Müser MH, Mosey NJ.
    J Chem Phys; 2006 Sep 07; 125(9):094108. PubMed ID: 16965073
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  • 55. Molecular electrostatic potentials and electron densities in nitroazacubanes.
    Dhumal NR, Patil UN, Gejji SP.
    J Chem Phys; 2004 Jan 08; 120(2):749-55. PubMed ID: 15267910
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  • 56. Beyond the resonant dipole interaction model: resolution of a discrepancy between experimental and calculated structures of the carbon dioxide cyclic planar trimer.
    Boychenko IV, Huber H.
    J Chem Phys; 2006 Jan 07; 124(1):14305. PubMed ID: 16409034
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  • 57. Physicochemical properties of zwitterionic L- and DL-alanine crystals from their experimental and theoretical charge densities.
    Destro R, Soave R, Barzaghi M.
    J Phys Chem B; 2008 Apr 24; 112(16):5163-74. PubMed ID: 18373373
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  • 58. The importance of the external potential on group electronegativity.
    Leyssens T, Geerlings P, Peeters D.
    J Phys Chem A; 2005 Nov 03; 109(43):9882-9. PubMed ID: 16833304
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  • 59. Hydrogen bonding and induced dipole moments in water: predictions from the Gaussian charge polarizable model and Car-Parrinello molecular dynamics.
    Dyer PJ, Cummings PT.
    J Chem Phys; 2006 Oct 14; 125(14):144519. PubMed ID: 17042621
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  • 60. Relationship between the charge distribution and dipole moment functions of CO and the related molecules CS, SiO, and SiS.
    Harrison JF.
    J Phys Chem A; 2006 Sep 21; 110(37):10848-57. PubMed ID: 16970381
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