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Journal Abstract Search


272 related items for PubMed ID: 15918748

  • 1. 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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  • 2. Energy of charged states in the acetanilide crystal: trapping of charge-transfer states at vacancies as a possible mechanism for optical damage.
    Tsiaousis D, Munn RW.
    J Chem Phys; 2004 Apr 15; 120(15):7095-106. PubMed ID: 15267613
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  • 3. Amine-hydrogen halide complexes: experimental electric dipole moments and a theoretical decomposition of dipole moments and binding energies.
    Brauer CS, Craddock MB, Kilian J, Grumstrup EM, Orilall MC, Mo Y, Gao J, Leopold KR.
    J Phys Chem A; 2006 Aug 24; 110(33):10025-34. PubMed ID: 16913676
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  • 4. 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
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  • 6. Role of the electric dipole moment in positron binding to the ground and excited states of the BeO molecule.
    Buenker RJ, Liebermann HP, Pichl L, Tachikawa M, Kimura M.
    J Chem Phys; 2007 Mar 14; 126(10):104305. PubMed ID: 17362066
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  • 10. The roles of electronic exchange and correlation in charge-transfer- to-solvent dynamics: Many-electron nonadiabatic mixed quantum/classical simulations of photoexcited sodium anions in the condensed phase.
    Glover WJ, Larsen RE, Schwartz BJ.
    J Chem Phys; 2008 Oct 28; 129(16):164505. PubMed ID: 19045282
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  • 11. Conformational simulations of aqueous solvated alpha-conotoxin GI and its single disulfide analogues using a polarizable force field model.
    Jiang N, Ma J.
    J Phys Chem A; 2008 Oct 09; 112(40):9854-67. PubMed ID: 18788721
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  • 12. Dye-tissue interactions: mechanisms, quantification and bonding parameters for dyes used in biological staining.
    Dapson RW.
    Biotech Histochem; 2005 Oct 09; 80(2):49-72. PubMed ID: 16195171
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  • 13. 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
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  • 14. A general formula for the rate of resonant transfer of energy between two electric multipole moments of arbitrary order using molecular quantum electrodynamics.
    Salam A.
    J Chem Phys; 2005 Jan 22; 122(4):44112. PubMed ID: 15740240
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  • 15. Rotational spectrum of the dimethyl ether-acetylene complex: evidence for an effective C2v geometry.
    Newby JJ, Serafin MM, Peebles RA, Peebles SA.
    J Phys Chem A; 2005 Jun 23; 109(24):5316-22. PubMed ID: 16839055
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  • 16. Redistributed charge and dipole schemes for combined quantum mechanical and molecular mechanical calculations.
    Lin H, Truhlar DG.
    J Phys Chem A; 2005 May 05; 109(17):3991-4004. PubMed ID: 16833721
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