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Journal Abstract Search

137 related items for PubMed ID: 16805501

  • 1. TD-DFT investigation of the UV spectra of pyranone derivatives.
    Preat J, Jacquemin D, Wathelet V, André JM, Perpète EA.
    J Phys Chem A; 2006 Jul 06; 110(26):8144-50. PubMed ID: 16805501
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  • 2. Ab initio tools for the accurate prediction of the visible spectra of anthraquinones.
    Jacquemin D, Wathelet V, Preat J, Perpète EA.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Jun 06; 67(2):334-41. PubMed ID: 16959534
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  • 12. Ab initio investigation of the n --> pi* transitions in thiocarbonyl dyes.
    Jacquemin D, Wathelet V, Perpète EA.
    J Phys Chem A; 2006 Jul 27; 110(29):9145-52. PubMed ID: 16854027
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  • 14. Influence of molecular geometry, exchange-correlation functional, and solvent effects in the modeling of vertical excitation energies in phthalocyanines using time-dependent density functional theory (TDDFT) and polarized continuum model TDDFT methods: can modern computational chemistry methods explain experimental controversies?
    Nemykin VN, Hadt RG, Belosludov RV, Mizuseki H, Kawazoe Y.
    J Phys Chem A; 2007 Dec 20; 111(50):12901-13. PubMed ID: 18004829
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  • 15. Benchmarks for electronically excited states: time-dependent density functional theory and density functional theory based multireference configuration interaction.
    Silva-Junior MR, Schreiber M, Sauer SP, Thiel W.
    J Chem Phys; 2008 Sep 14; 129(10):104103. PubMed ID: 19044904
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  • 16. [Study on structure and spectra of 1,4-bis[(p-methoxyphenoxy) carbonyl]].
    Hu JD, Li Q, Zhao KQ.
    Guang Pu Xue Yu Guang Pu Fen Xi; 2008 Apr 14; 28(4):879-82. PubMed ID: 18619320
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  • 20. Excited-state behavior of trans and cis isomers of stilbene and stiff stilbene: a TD-DFT study.
    Improta R, Santoro F.
    J Phys Chem A; 2005 Nov 10; 109(44):10058-67. PubMed ID: 16838925
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