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184 related items for PubMed ID: 16970381

  • 1. 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
    [Abstract] [Full Text] [Related]

  • 2. A Hirshfeld interpretation of the charge, spin distribution, and polarity of the dipole moment of the open shell (3Sigma-) nitrogen halides: NF, NCl, and NBr.
    Harrison JF.
    J Chem Phys; 2009 Jul 28; 131(4):044117. PubMed ID: 19655847
    [Abstract] [Full Text] [Related]

  • 3. An atomic charge-charge flux-dipole flux atom-in-molecule decomposition for molecular dipole-moment derivatives and infrared fundamental intensities.
    Haiduke RL, Bruns RE.
    J Phys Chem A; 2005 Mar 24; 109(11):2680-8. PubMed ID: 16833574
    [Abstract] [Full Text] [Related]

  • 4. Dipole and quadrupole moment functions of the hydrogen halides HF, HCl, HBr, and HI: a Hirshfeld interpretation.
    Harrison JF.
    J Chem Phys; 2008 Mar 21; 128(11):114320. PubMed ID: 18361584
    [Abstract] [Full Text] [Related]

  • 5. Nonmetallic electronegativity equalization and point-dipole interaction model including exchange interactions for molecular dipole moments and polarizabilities.
    Smalø HS, Astrand PO, Jensen L.
    J Chem Phys; 2009 Jul 28; 131(4):044101. PubMed ID: 19655831
    [Abstract] [Full Text] [Related]

  • 6. A Hirshfeld-I interpretation of the charge distribution, dipole and quadrupole moments of the halogenated acetylenes FCCH, ClCCH, BrCCH, and ICCH.
    Harrison JF.
    J Chem Phys; 2010 Dec 07; 133(21):214103. PubMed ID: 21142297
    [Abstract] [Full Text] [Related]

  • 7. Quantum theory atoms in molecules charge-charge flux-dipole flux models for the infrared intensities of benzene and hexafluorobenzene.
    da Silva JV, Oliveira AE, Hase Y, Bruns RE.
    J Phys Chem A; 2009 Jul 09; 113(27):7972-8. PubMed ID: 19522474
    [Abstract] [Full Text] [Related]

  • 8. QTAIM charge-charge flux-dipole flux interpretation of electronegativity and potential models of the fluorochloromethane mean dipole moment derivatives.
    Silva AF, da Silva JV, Haiduke RL, Bruns RE.
    J Phys Chem A; 2011 Nov 17; 115(45):12572-81. PubMed ID: 21736290
    [Abstract] [Full Text] [Related]

  • 9. How accessible is atomic charge information from infrared intensities? A QTAIM/CCFDF interpretation.
    Silva AF, Richter WE, Meneses HG, Faria SH, Bruns RE.
    J Phys Chem A; 2012 Aug 09; 116(31):8238-49. PubMed ID: 22724623
    [Abstract] [Full Text] [Related]

  • 10. QTAIM charge-charge flux-dipole flux models for the infrared fundamental intensities of difluoro- and dichloroethylenes.
    da Silva JV, Faria SH, Haiduke RL, Bruns RE.
    J Phys Chem A; 2007 Jan 25; 111(3):515-20. PubMed ID: 17228900
    [Abstract] [Full Text] [Related]

  • 11. Interaction-induced dipole moment of the Ar-H2 dimer: dependence on the H2 bond length.
    Hinde RJ.
    J Chem Phys; 2006 Apr 21; 124(15):154309. PubMed ID: 16674228
    [Abstract] [Full Text] [Related]

  • 12. QTAIM charge-charge flux-dipole flux models for the fundamental infrared intensities of BF3 and BCl3.
    Richter WE, Silva AF, Pitoli AC, Vazquez PA, Bruns RE.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Dec 21; 116():136-42. PubMed ID: 23933549
    [Abstract] [Full Text] [Related]

  • 13.
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  • 14. Structures of heterogeneous proton-bond dimers with a high dipole moment monomer: covalent vs electrostatic interactions.
    Fridgen TD.
    J Phys Chem A; 2006 May 11; 110(18):6122-8. PubMed ID: 16671683
    [Abstract] [Full Text] [Related]

  • 15. Relationship between dipole moments and harmonic vibrational frequencies in diatomic molecules.
    Hou S, Bernath PF.
    J Phys Chem A; 2015 Feb 26; 119(8):1435-8. PubMed ID: 25654372
    [Abstract] [Full Text] [Related]

  • 16. Atomic charge and atomic dipole modeling of gas-phase infrared intensities of fundamental bands for out-of-plane CH and CF bending vibrations.
    Richter WE, Duarte LJ, Bruns RE.
    Spectrochim Acta A Mol Biomol Spectrosc; 2021 Apr 15; 251():119393. PubMed ID: 33450451
    [Abstract] [Full Text] [Related]

  • 17. Atomistic dipole moments and polarizabilities of Na(N) clusters, N = 2-20.
    Jackson K, Ma L, Yang M, Jellinek J.
    J Chem Phys; 2008 Oct 14; 129(14):144309. PubMed ID: 19045149
    [Abstract] [Full Text] [Related]

  • 18. QTAIM charge-charge flux-dipole flux models for the infrared fundamental intensities of the fluorochloromethanes.
    da Silva JV, Haiduke RL, Bruns RE.
    J Phys Chem A; 2006 Apr 13; 110(14):4839-45. PubMed ID: 16599453
    [Abstract] [Full Text] [Related]

  • 19. Quantum Interference Contribution to the Dipole Moment of Diatomic Molecules.
    Oliveira de Sousa DW, Nascimento MAC.
    J Phys Chem A; 2018 Feb 08; 122(5):1406-1412. PubMed ID: 29338264
    [Abstract] [Full Text] [Related]

  • 20. Low temperature capture of open shell dipolar molecules by ions: the capture of rotationally selected NO((2)Pi(1/2), j) by C(+).
    Dashevskaya EI, Litvin I, Nikitin EE, Troe J.
    Phys Chem Chem Phys; 2007 Apr 07; 9(13):1559-67. PubMed ID: 17429549
    [Abstract] [Full Text] [Related]

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