These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

160 related articles for article (PubMed ID: 17092090)

  • 1. Time-dependent density functional theory investigation of the absorption, fluorescence, and phosphorescence spectra of solvated coumarins.
    Jacquemin D; Perpète EA; Scalmani G; Frisch MJ; Assfeld X; Ciofini I; Adamo C
    J Chem Phys; 2006 Oct; 125(16):164324. PubMed ID: 17092090
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Excitation spectra of nitro-diphenylaniline: accurate time-dependent density functional theory predictions for charge-transfer dyes.
    Jacquemin D; Bouhy M; Perpète EA
    J Chem Phys; 2006 May; 124(20):204321. PubMed ID: 16774346
    [TBL] [Abstract][Full Text] [Related]  

  • 3. 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; 120(11):5133-47. PubMed ID: 15267383
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Toward effective and reliable fluorescence energies in solution by a new state specific polarizable continuum model time dependent density functional theory approach.
    Improta R; Scalmani G; Frisch MJ; Barone V
    J Chem Phys; 2007 Aug; 127(7):074504. PubMed ID: 17718617
    [TBL] [Abstract][Full Text] [Related]  

  • 5. A TD-DFT investigation of ground and excited state properties in indoline dyes used for dye-sensitized solar cells.
    Le Bahers T; Pauporté T; Scalmani G; Adamo C; Ciofini I
    Phys Chem Chem Phys; 2009 Dec; 11(47):11276-84. PubMed ID: 20024396
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Density functional calculations on electronic circular dichroism spectra of chiral transition metal complexes.
    Autschbach J; Jorge FE; Ziegler T
    Inorg Chem; 2003 May; 42(9):2867-77. PubMed ID: 12716178
    [TBL] [Abstract][Full Text] [Related]  

  • 7. TD-DFT investigation of diarylethene dyes with cyclopentene, dihydrothiophene, and dihydropyrrole bridges.
    Perpète EA; Maurel F; Jacquemin D
    J Phys Chem A; 2007 Jun; 111(25):5528-35. PubMed ID: 17552502
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Ab initio investigation of the n --> pi* transitions in thiocarbonyl dyes.
    Jacquemin D; Wathelet V; Perpète EA
    J Phys Chem A; 2006 Jul; 110(29):9145-52. PubMed ID: 16854027
    [TBL] [Abstract][Full Text] [Related]  

  • 9. 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; 114(2):1178-84. PubMed ID: 20000483
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Thioindigo dyes: highly accurate visible spectra with TD-DFT.
    Jacquemin D; Preat J; Wathelet V; Fontaine M; Perpète EA
    J Am Chem Soc; 2006 Feb; 128(6):2072-83. PubMed ID: 16464110
    [TBL] [Abstract][Full Text] [Related]  

  • 11. 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; 67(2):334-41. PubMed ID: 16959534
    [TBL] [Abstract][Full Text] [Related]  

  • 12. A theoretical study of solvent effects on tautomerism and electronic absorption spectra of 3-hydroxy-2-mercaptopyridine and 2,3-dihydroxypyridine.
    Yan W; Xue Y; Zhu H; Zeng J; Xie D
    J Comput Chem; 2004 Nov; 25(15):1833-9. PubMed ID: 15389746
    [TBL] [Abstract][Full Text] [Related]  

  • 13. 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; 129(10):104103. PubMed ID: 19044904
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Calculation of electronic circular dichroism spectra with time-dependent double-hybrid density functional theory.
    Goerigk L; Grimme S
    J Phys Chem A; 2009 Jan; 113(4):767-76. PubMed ID: 19102628
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Theoretical investigation of the excited states of coumarin dyes for dye-sensitized solar cells.
    Kurashige Y; Nakajima T; Kurashige S; Hirao K; Nishikitani Y
    J Phys Chem A; 2007 Jun; 111(25):5544-8. PubMed ID: 17539619
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Investigation of the UV/visible absorption spectra of merocyanine dyes using time-dependent density functional theory.
    Guillaume M; Champagne B; Zutterman F
    J Phys Chem A; 2006 Dec; 110(48):13007-13. PubMed ID: 17134160
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Ab initio studies of the lambda(max) of naphthoquinones dyes.
    Perpète EA; Lambert C; Wathelet V; Preat J; Jacquemin D
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Dec; 68(5):1326-33. PubMed ID: 17395529
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Double-hybrid density functional theory for excited electronic states of molecules.
    Grimme S; Neese F
    J Chem Phys; 2007 Oct; 127(15):154116. PubMed ID: 17949141
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Time-dependent density-functional theory calculations of triplet-triplet absorption.
    Cronstrand P; Rinkevicius Z; Luo Y; Agren H
    J Chem Phys; 2005 Jun; 122(22):224104. PubMed ID: 15974648
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Triplet excited state in platinum-acetylide oligomers: triplet localization and effects of conformation.
    Glusac K; Köse ME; Jiang H; Schanze KS
    J Phys Chem B; 2007 Feb; 111(5):929-40. PubMed ID: 17266245
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.