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Journal Abstract Search

623 related items for PubMed ID: 15267613

  • 1. 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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  • 5. Structural, electronic and magnetic properties of V(2)O(5-x): An ab initio study.
    Xiao ZR, Guo GY.
    J Chem Phys; 2009 Jun 07; 130(21):214704. PubMed ID: 19508084
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  • 6. 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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  • 8. 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
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  • 16. Guided-ion beam and theoretical study of the potential energy surface for activation of methane by W+.
    Armentrout PB, Shin S, Liyanage R.
    J Phys Chem A; 2006 Feb 02; 110(4):1242-60. PubMed ID: 16435785
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  • 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
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  • 19. Calculating absorption shifts for retinal proteins: computational challenges.
    Wanko M, Hoffmann M, Strodel P, Koslowski A, Thiel W, Neese F, Frauenheim T, Elstner M.
    J Phys Chem B; 2005 Mar 03; 109(8):3606-15. PubMed ID: 16851399
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  • 20. TD-DFT description of photoabsorption and electron transfer in a covalently bonded porphyrin-fullerene dyad.
    Cramariuc O, Hukka TI, Rantala TT, Lemmetyinen H.
    J Phys Chem A; 2006 Nov 16; 110(45):12470-6. PubMed ID: 17091952
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