BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

131 related articles for article (PubMed ID: 19775142)

  • 1. Structure versus solvent effects on nonlinear optical properties of push-pull systems: a quantum-mechanical study based on a polarizable continuum model.
    Corozzi A; Mennucci B; Cammi R; Tomasi J
    J Phys Chem A; 2009 Dec; 113(52):14774-84. PubMed ID: 19775142
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Structures and properties of electronically excited chromophores in solution from the polarizable continuum model coupled to the time-dependent density functional theory.
    Mennucci B; Cappelli C; Guido CA; Cammi R; Tomasi J
    J Phys Chem A; 2009 Apr; 113(13):3009-20. PubMed ID: 19226132
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Basis set and electron correlation effects on the polarizability and second hyperpolarizability of model open-shell pi-conjugated systems.
    Champagne B; Botek E; Nakano M; Nitta T; Yamaguchi K
    J Chem Phys; 2005 Mar; 122(11):114315. PubMed ID: 15839724
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Theoretical investigation of the linear and second-order nonlinear susceptibilities of the 3-methyl-4-nitropyridine-1-oxyde (POM) crystal.
    Guillaume M; Botek E; Champagne B; Castet F; Ducasse L
    J Chem Phys; 2004 Oct; 121(15):7390-400. PubMed ID: 15473810
    [TBL] [Abstract][Full Text] [Related]  

  • 5. In silico optimization of merocyanine-spiropyran compounds as second-order nonlinear optical molecular switches.
    Plaquet A; Guillaume M; Champagne B; Castet F; Ducasse L; Pozzo JL; Rodriguez V
    Phys Chem Chem Phys; 2008 Nov; 10(41):6223-32. PubMed ID: 18936845
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Excited state properties and quadratic optical nonlinearities in charged organic chromophores: theoretical analysis.
    Inerbaev TM; Saito S; Belosludov RV; Mizuseki H; Takahashi M; Kawazoe Y
    J Chem Phys; 2006 Dec; 125(23):234702. PubMed ID: 17190565
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Nonlinear optical properties of zwitterionic merocyanine aggregates: role of intermolecular interaction and solvent polarity.
    Sainudeen Z; Ray PC
    J Phys Chem A; 2005 Oct; 109(40):9095-103. PubMed ID: 16332017
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Formation and relaxation of excited states in solution: a new time dependent polarizable continuum model based on time dependent density functional theory.
    Caricato M; Mennucci B; Tomasi J; Ingrosso F; Cammi R; Corni S; Scalmani G
    J Chem Phys; 2006 Mar; 124(12):124520. PubMed ID: 16599710
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Geometries and properties of excited states in the gas phase and in solution: theory and application of a time-dependent density functional theory polarizable continuum model.
    Scalmani G; Frisch MJ; Mennucci B; Tomasi J; Cammi R; Barone V
    J Chem Phys; 2006 Mar; 124(9):94107. PubMed ID: 16526845
    [TBL] [Abstract][Full Text] [Related]  

  • 10. 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; 127(16):164507. PubMed ID: 17979360
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Density functional self-consistent quantum mechanics/molecular mechanics theory for linear and nonlinear molecular properties: Applications to solvated water and formaldehyde.
    Nielsen CB; Christiansen O; Mikkelsen KV; Kongsted J
    J Chem Phys; 2007 Apr; 126(15):154112. PubMed ID: 17461619
    [TBL] [Abstract][Full Text] [Related]  

  • 12. 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; 109(42):9637-45. PubMed ID: 16866417
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Solvent effect on the singlet excited-state lifetimes of nucleic acid bases: A computational study of 5-fluorouracil and uracil in acetonitrile and water.
    Santoro F; Barone V; Gustavsson T; Improta R
    J Am Chem Soc; 2006 Dec; 128(50):16312-22. PubMed ID: 17165786
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Quantum chemical investigation of thermal cis-to-trans isomerization of azobenzene derivatives: substituent effects, solvent effects, and comparison to experimental data.
    Dokić J; Gothe M; Wirth J; Peters MV; Schwarz J; Hecht S; Saalfrank P
    J Phys Chem A; 2009 Jun; 113(24):6763-73. PubMed ID: 19453149
    [TBL] [Abstract][Full Text] [Related]  

  • 15. A state-specific polarizable continuum model time dependent density functional theory method for excited state calculations in solution.
    Improta R; Barone V; Scalmani G; Frisch MJ
    J Chem Phys; 2006 Aug; 125(5):054103. PubMed ID: 16942199
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Quantum mechanical methods applied to excitation energy transfer: a comparative analysis on excitation energies and electronic couplings.
    Muñoz-Losa A; Curutchet C; Fdez Galván I; Mennucci B
    J Chem Phys; 2008 Jul; 129(3):034104. PubMed ID: 18647013
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Photostability and spectral properties of fluorinated fluoresceins and their biarsenical derivatives: a combined experimental and theoretical study.
    Spagnuolo CC; Massad W; Miskoski S; Menendez GO; García NA; Jares-Erijman EA
    Photochem Photobiol; 2009; 85(5):1082-8. PubMed ID: 19500295
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Second-harmonic generation of solvated molecules using multiconfigurational self-consistent-field quadratic response theory and the polarizable continuum model.
    Frediani L; Agren H; Ferrighi L; Ruud K
    J Chem Phys; 2005 Oct; 123(14):144117. PubMed ID: 16238384
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Time-dependent density functional theory study on intramolecular charge transfer and solvent effect of dimethylaminobenzophenone.
    Duan XH; Li XY; He RX; Cheng XM
    J Chem Phys; 2005 Feb; 122(8):84314. PubMed ID: 15836046
    [TBL] [Abstract][Full Text] [Related]  

  • 20. 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]  

    [Next]    [New Search]
    of 7.