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Journal Abstract Search


157 related items for PubMed ID: 18619320

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  • 3. Electronic structure of copper phthalocyanine: an experimental and theoretical study of occupied and unoccupied levels.
    Evangelista F, Carravetta V, Stefani G, Jansik B, Alagia M, Stranges S, Ruocco A.
    J Chem Phys; 2007 Mar 28; 126(12):124709. PubMed ID: 17411154
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  • 5. Substituent and solvent effects on electronic structure and spectral property of ReCl(CO)3(N∧N) (N∧N = glyoxime): DFT and TDDFT theoretical studies.
    Zhang TT, Jia JF, Wu HS.
    J Phys Chem A; 2010 Nov 25; 114(46):12251-7. PubMed ID: 21028877
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  • 6. Theoretical study of one- and two-photon absorption spectra of azoaromatic compounds.
    Silva DL, Krawczyk P, Bartkowiak W, Mendonça CR.
    J Chem Phys; 2009 Dec 28; 131(24):244516. PubMed ID: 20059088
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  • 7. Photophysical and theoretical investigations of oligo(p-phenyleneethynylene)s: effect of alkoxy substitution and alkyne-aryl bond rotations.
    James PV, Sudeep PK, Suresh CH, Thomas KG.
    J Phys Chem A; 2006 Apr 06; 110(13):4329-37. PubMed ID: 16571035
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  • 8. The electronic spectra of the sandwich stacked PFBT: a theoretical study.
    Wang J, Gu J, Leszczynski J.
    J Phys Chem A; 2011 Jun 23; 115(24):6376-82. PubMed ID: 21630677
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  • 9. 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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  • 10. Photophysical properties of oligophenylene ethynylenes modified by donor and/or acceptor groups.
    Yamaguchi Y, Shimoi Y, Ochi T, Wakamiya T, Matsubara Y, Yoshida Z.
    J Phys Chem A; 2008 Jun 12; 112(23):5074-84. PubMed ID: 18491882
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  • 12. The effect of conjugated spacer on novel carbazole derivatives for dye-sensitized solar cells: density functional theory/time-dependent density functional theory study.
    Jungsuttiwong S, Yakhanthip T, Surakhot Y, Khunchalee J, Sudyoadsuk T, Promarak V, Kungwan N, Namuangruk S.
    J Comput Chem; 2012 Jun 30; 33(17):1517-23. PubMed ID: 22505327
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  • 13. Al7Ag and Al7Au clusters with large highest occupied molecular orbital-lowest unoccupied molecular orbital gap.
    Chen MX, Yan XH, Wei SH.
    J Phys Chem A; 2007 Sep 06; 111(35):8659-62. PubMed ID: 17696321
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  • 18. Electron delocalization in cross-conjugated p-phenylenevinylidene oligomers.
    Klokkenburg M, Lutz M, Spek AL, van der Maas JH, van Walree CA.
    Chemistry; 2003 Aug 04; 9(15):3544-54. PubMed ID: 12898681
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  • 19. 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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