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463 related items for PubMed ID: 12716178

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  • 3. Tailoring transition metal complexes for nonlinear optics applications. 2. A theoretical investigation of the second-order nonlinear optical properties of M(CO)(5)L complexes (M = Cr, W; L = Py, PyCHO, Pyz, PyzBF(3), BPE, BPEBF(3)).
    Bruschi M, Fantucci P, Pizzotti M.
    J Phys Chem A; 2005 Oct 27; 109(42):9637-45. PubMed ID: 16866417
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  • 4. Density functional calculation of the electronic circular dichroism spectra of the transition metal complexes [M(phen)3]2+ (M = Fe, Ru, Os).
    Le Guennic B, Hieringer W, Görling A, Autschbach J.
    J Phys Chem A; 2005 Jun 02; 109(21):4836-46. PubMed ID: 16833828
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  • 5. Determination of absolute configuration of chiral hemicage metal complexes using time-dependent density functional theory.
    Coughlin FJ, Oyler KD, Pascal RA, Bernhard S.
    Inorg Chem; 2008 Feb 04; 47(3):974-9. PubMed ID: 18179205
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  • 10. Quantum chemical study on the circular dichroism spectra and specific rotation of donor-acceptor cyclophanes.
    Mori T, Inoue Y, Grimme S.
    J Phys Chem A; 2007 Aug 16; 111(32):7995-8006. PubMed ID: 17629260
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  • 12. DFT/TD-DFT investigation of electronic structures and spectra properties of Cu-based dye sensitizers.
    Lu X, Wu CM, Wei S, Guo W.
    J Phys Chem A; 2010 Jan 21; 114(2):1178-84. PubMed ID: 20000483
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  • 16. On the origin of circular dichroism in trigonal dihedral d6 complexes of bidentate ligands containing only sigma-orbitals. A qualitative model based on a density functional theory study of Lambda-[Co(en)3]3+.
    Fan J, Ziegler T.
    Chirality; 2008 Sep 21; 20(9):938-50. PubMed ID: 18246551
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  • 17. Computational study of the one- and two-photon absorption and circular dichroism of (L)-tryptophan.
    Guillaume M, Ruud K, Rizzo A, Monti S, Lin Z, Xu X.
    J Phys Chem B; 2010 May 20; 114(19):6500-12. PubMed ID: 20420407
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  • 18. Ligand-to-diimine/metal-to-diimine charge-transfer excited states of [Re(NCS)(CO)3(alpha-diimine)] (alpha-diimine = 2,2'-bipyridine, di-iPr-N,N-1,4-diazabutadiene). A spectroscopic and computational study.
    Blanco Rodríguez AM, Gabrielsson A, Motevalli M, Matousek P, Towrie M, Sebera J, Zális S, Vlcek A.
    J Phys Chem A; 2005 Jun 16; 109(23):5016-25. PubMed ID: 16833853
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  • 19. Excitations, optical absorption spectra, and optical excitonic gaps of heterofullerenes. I. C60, C59N+, and C48N12: theory and experiment.
    Xie RH, Bryant GW, Sun G, Nicklaus MC, Heringer D, Frauenheim T, Manaa MR, Smith VH, Araki Y, Ito O.
    J Chem Phys; 2004 Mar 15; 120(11):5133-47. PubMed ID: 15267383
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  • 20. Solid-state changes in ligand-to-metal charge-transfer spectra of (NH3)5Ru(III)(2,4-dihydroxybenzoate) and (NH3)5Ru(III)(xanthine) chromophores.
    Krogh-Jespersen K, Stibrany RT, John E, Westbrook JD, Emge TJ, Clarke MJ, Potenza JA, Schugar HJ.
    Inorg Chem; 2008 Nov 03; 47(21):9813-27. PubMed ID: 18837549
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