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Journal Abstract Search

633 related items for PubMed ID: 15268191

  • 1. Resonance Raman spectra of uracil based on Kramers-Kronig relations using time-dependent density functional calculations and multireference perturbation theory.
    Neugebauer J, Hess BA.
    J Chem Phys; 2004 Jun 22; 120(24):11564-77. PubMed ID: 15268191
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  • 2. Theory and method for calculating resonance Raman scattering from resonance polarizability derivatives.
    Jensen L, Zhao LL, Autschbach J, Schatz GC.
    J Chem Phys; 2005 Nov 01; 123(17):174110. PubMed ID: 16375520
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  • 3. Time dependent density functional theory investigation of the resonance Raman properties of the julolidinemalononitrile push-pull chromophore in various solvents.
    Guthmuller J, Champagne B.
    J Chem Phys; 2007 Oct 28; 127(16):164507. PubMed ID: 17979360
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  • 4. Combined theoretical and experimental deep-UV resonance raman studies of substituted pyrenes.
    Neugebauer J, Baerends EJ, Efremov EV, Ariese F, Gooijer C.
    J Phys Chem A; 2005 Mar 17; 109(10):2100-6. PubMed ID: 16838980
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  • 5. A charge-transfer surface enhanced Raman scattering model from time-dependent density functional theory calculations on a Ag10-pyridine complex.
    Birke RL, Znamenskiy V, Lombardi JR.
    J Chem Phys; 2010 Jun 07; 132(21):214707. PubMed ID: 20528041
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  • 7. Double-hybrid density functional theory for excited electronic states of molecules.
    Grimme S, Neese F.
    J Chem Phys; 2007 Oct 21; 127(15):154116. PubMed ID: 17949141
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  • 9. Efficient time-dependent density functional theory approximations for hybrid density functionals: analytical gradients and parallelization.
    Petrenko T, Kossmann S, Neese F.
    J Chem Phys; 2011 Feb 07; 134(5):054116. PubMed ID: 21303101
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  • 10. Ground- and excited-state diatomic bond lengths, vibrational levels, and potential-energy curves from conventional and localized Hartree-Fock-based density-functional theory.
    Teale AM, Tozer DJ.
    J Chem Phys; 2005 Jan 15; 122(3):34101. PubMed ID: 15740186
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  • 11. Investigation of the resonance Raman spectra and excitation profiles of a monometallic ruthenium(II) [Ru(bpy)2(HAT)]2+ complex by time-dependent density functional theory.
    Guthmuller J, Champagne B, Moucheron C, Kirsch-De Mesmaeker A.
    J Phys Chem B; 2010 Jan 14; 114(1):511-20. PubMed ID: 19839617
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  • 12. Density functional calculations of the vibronic structure of electronic absorption spectra.
    Dierksen M, Grimme S.
    J Chem Phys; 2004 Feb 22; 120(8):3544-54. PubMed ID: 15268516
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  • 13. Analytic ab initio calculations of coherent anti-Stokes Raman scattering (CARS).
    Thorvaldsen AJ, Ferrighi L, Ruud K, Agren H, Coriani S, Jørgensen P.
    Phys Chem Chem Phys; 2009 Apr 07; 11(13):2293-304. PubMed ID: 19305904
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  • 15. Experimental and CIS, TD-DFT, ab initio calculations of visible spectra and the vibrational frequencies of sulfonyl azide-azoic dyes.
    Teimouri A, Chermahini AN, Taban K, Dabbagh HA.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Mar 07; 72(2):369-77. PubMed ID: 19042151
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  • 16. Density-matrix calculation of surface-enhanced Raman scattering for p-mercaptoaniline on silver nanoshells.
    Gibson JW, Johnson BR.
    J Chem Phys; 2006 Feb 14; 124(6):64701. PubMed ID: 16483223
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  • 19. Hole localization in [AlO4]0 defects in silica materials.
    To J, Sokol AA, French SA, Kaltsoyannis N, Catlow CR.
    J Chem Phys; 2005 Apr 08; 122(14):144704. PubMed ID: 15847550
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  • 20. Vibrational markers for the open-shell character of transition metal bis-dithiolenes: an infrared, resonance raman, and quantum chemical study.
    Petrenko T, Ray K, Wieghardt KE, Neese F.
    J Am Chem Soc; 2006 Apr 05; 128(13):4422-36. PubMed ID: 16569020
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