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2071 related items for PubMed ID: 16866417

  • 1. 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
    [Abstract] [Full Text] [Related]

  • 2. A new hybrid DFT approach to electronic excitation and first hyperpolarizabilities of transition metal complexes.
    Lin J, Wu K, Zhang M.
    J Comput Chem; 2009 Oct 27; 30(13):2056-63. PubMed ID: 19140141
    [Abstract] [Full Text] [Related]

  • 3. Electronic structure control of the nucleophilicity of transition metal-thiolate complexes: an experimental and theoretical study.
    Fox DC, Fiedler AT, Halfen HL, Brunold TC, Halfen JA.
    J Am Chem Soc; 2004 Jun 23; 126(24):7627-38. PubMed ID: 15198611
    [Abstract] [Full Text] [Related]

  • 4. Electrochemical, linear optical, and nonlinear optical properties and interpretation by density functional theory calculations of (4-N,N-dimethylaminostyryl)-pyridinium pendant group associated with polypyridinic ligands and respective multifunctional metal complexes (Ru(II) or Zn(II)).
    Dumur F, Mayer CR, Hoang-Thi K, Ledoux-Rak I, Miomandre F, Clavier G, Dumas E, Méallet-Renault R, Frigoli M, Zyss J, Sécheresse F.
    Inorg Chem; 2009 Sep 07; 48(17):8120-33. PubMed ID: 19642646
    [Abstract] [Full Text] [Related]

  • 5. Neutral bis(alpha-iminopyridine)metal complexes of the first-row transition ions (Cr, Mn, Fe, Co, Ni, Zn) and their monocationic analogues: mixed valency involving a redox noninnocent ligand system.
    Lu CC, Bill E, Weyhermüller T, Bothe E, Wieghardt K.
    J Am Chem Soc; 2008 Mar 12; 130(10):3181-97. PubMed ID: 18284242
    [Abstract] [Full Text] [Related]

  • 6. Effects of the metal center and substituting groups on the linear and nonlinear optical properties of substituted styryl-bipyridine metal(II) dichloride complexes: DFT and TDDFT computational investigations and harmonic light scattering measurements.
    Baccouche A, Peigné B, Ibersiene F, Hammoutène D, Boutarfaïa A, Boucekkine A, Feuvrie C, Maury O, Ledoux I, Le Bozec H.
    J Phys Chem A; 2010 Apr 29; 114(16):5429-38. PubMed ID: 20369876
    [Abstract] [Full Text] [Related]

  • 7. Solvent and intermolecular effects on first hyperpolarizabilities of organometallic tungsten-carbonyl complexes, a TDDFT study.
    Li Q, Sa R, Liu C, Wu K.
    J Phys Chem A; 2007 Aug 16; 111(32):7925-32. PubMed ID: 17655208
    [Abstract] [Full Text] [Related]

  • 8. Luminescent alkynylplatinum(II) complexes of 2,6-bis(N-alkylbenzimidazol-2'-yl)pyridine-type ligands with ready tunability of the nature of the emissive states by solvent and electronic property modulation.
    Tam AY, Lam WH, Wong KM, Zhu N, Yam VW.
    Chemistry; 2008 Aug 16; 14(15):4562-76. PubMed ID: 18393346
    [Abstract] [Full Text] [Related]

  • 9. Description of the ground-state covalencies of the bis(dithiolato) transition-metal complexes from X-ray absorption spectroscopy and time-dependent density-functional calculations.
    Ray K, Debeer George S, Solomon EI, Wieghardt K, Neese F.
    Chemistry; 2007 Aug 16; 13(10):2783-97. PubMed ID: 17290468
    [Abstract] [Full Text] [Related]

  • 10. Reversible redox-switchable second-order optical nonlinearity in polyoxometalate: a quantum chemical study of [PW11O39(ReN)]n- (n = 3-7).
    Guan W, Yang G, Liu C, Song P, Fang L, Yan L, Su Z.
    Inorg Chem; 2008 Jun 16; 47(12):5245-52. PubMed ID: 18491889
    [Abstract] [Full Text] [Related]

  • 11. Electronic structure of square planar bis(benzene-1,2-dithiolato)metal complexes [M(L)(2)](z) (z = 2-, 1-, 0; M = Ni, Pd, Pt, Cu, Au): an experimental, density functional, and correlated ab initio study.
    Ray K, Weyhermüller T, Neese F, Wieghardt K.
    Inorg Chem; 2005 Jul 25; 44(15):5345-60. PubMed ID: 16022533
    [Abstract] [Full Text] [Related]

  • 12. Singlet diradical complexes of chromium, molybdenum, and tungsten with azo anion radical ligands from M(CO)6 precursors.
    Sanyal A, Chatterjee S, Castiñeiras A, Sarkar B, Singh P, Fiedler J, Zális S, Kaim W, Goswami S.
    Inorg Chem; 2007 Oct 15; 46(21):8584-93. PubMed ID: 17887746
    [Abstract] [Full Text] [Related]

  • 13. Prediction of robustly large molecular second-order nonlinear optical properties of terpyridine-substituted hexamolybdates: structural modelling towards a rational entry to NLO materials.
    Janjua MR, Guan W, Yan L, Su ZM, Ali M, Bukhari IH.
    J Mol Graph Model; 2010 Jun 15; 28(8):735-45. PubMed ID: 20188613
    [Abstract] [Full Text] [Related]

  • 14. Mechanism of NO photodissociation in photolabile manganese-NO complexes with pentadentate N5 ligands.
    Merkle AC, Fry NL, Mascharak PK, Lehnert N.
    Inorg Chem; 2011 Dec 05; 50(23):12192-203. PubMed ID: 22040173
    [Abstract] [Full Text] [Related]

  • 15. 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
    [Abstract] [Full Text] [Related]

  • 16. Three-dimensional nonlinear optical chromophores based on metal-to-ligand charge-transfer from ruthenium(II) or iron(II) centers.
    Coe BJ, Harris JA, Brunschwig BS, Asselberghs I, Clays K, Garín J, Orduna J.
    J Am Chem Soc; 2005 Sep 28; 127(38):13399-410. PubMed ID: 16173774
    [Abstract] [Full Text] [Related]

  • 17. The involvement of metal-to-CO charge transfer and ligand-field excited states in the spectroscopy and photochemistry of mixed-ligand metal carbonyls. A theoretical and spectroscopic study of [W(CO)(4)(1,2-ethylenediamine)] and [W(CO)(4)(N,N'-bis-alkyl-1,4-diazabutadiene)].
    Zális S, Farrell IR, Vlcek A.
    J Am Chem Soc; 2003 Apr 16; 125(15):4580-92. PubMed ID: 12683830
    [Abstract] [Full Text] [Related]

  • 18. Theoretical analyses of the effects on the linear and quadratic nonlinear optical properties of N-arylation of pyridinium groups in stilbazolium dyes.
    Coe BJ, Beljonne D, Vogel H, Garín J, Orduna J.
    J Phys Chem A; 2005 Nov 10; 109(44):10052-7. PubMed ID: 16838924
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  • 20. Electronic and structural effects on the nonlinear optical behavior in push-pull TTF/tricarbonyl chromiun arene complexes.
    Insuasty B, Atienza C, Seoane C, Martín N, Garín J, Orduna J, Alcalá R, Villacampa B.
    J Org Chem; 2004 Oct 15; 69(21):6986-95. PubMed ID: 15471443
    [Abstract] [Full Text] [Related]

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