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 *

201 related articles for article (PubMed ID: 17343460)

  • 1. Effective method to compute Franck-Condon integrals for optical spectra of large molecules in solution.
    Santoro F; Improta R; Lami A; Bloino J; Barone V
    J Chem Phys; 2007 Feb; 126(8):084509. PubMed ID: 17343460
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Effective method for the computation of optical spectra of large molecules at finite temperature including the Duschinsky and Herzberg-Teller effect: the Qx band of porphyrin as a case study.
    Santoro F; Lami A; Improta R; Bloino J; Barone V
    J Chem Phys; 2008 Jun; 128(22):224311. PubMed ID: 18554017
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Effective method to compute vibrationally resolved optical spectra of large molecules at finite temperature in the gas phase and in solution.
    Santoro F; Lami A; Improta R; Barone V
    J Chem Phys; 2007 May; 126(18):184102. PubMed ID: 17508787
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Fully Integrated Approach to Compute Vibrationally Resolved Optical Spectra: From Small Molecules to Macrosystems.
    Barone V; Bloino J; Biczysko M; Santoro F
    J Chem Theory Comput; 2009 Mar; 5(3):540-54. PubMed ID: 26610221
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Franck-Condon simulation of vibrationally resolved optical spectra for zinc complexes of phthalocyanine and tetrabenzoporphyrin including the Duschinsky and Herzberg-Teller effects.
    Guo M; He R; Dai Y; Shen W; Li M; Zhu C; Lin SH
    J Chem Phys; 2012 Apr; 136(14):144313. PubMed ID: 22502524
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Solvent effects on the vibronic one-photon absorption profiles of dioxaborine heterocycles.
    Wang YH; Halik M; Wang CK; Marder SR; Luo Y
    J Chem Phys; 2005 Nov; 123(19):194311. PubMed ID: 16321092
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Integrated computational approach to vibrationally resolved electronic spectra: anisole as a test case.
    Bloino J; Biczysko M; Crescenzi O; Barone V
    J Chem Phys; 2008 Jun; 128(24):244105. PubMed ID: 18601315
    [TBL] [Abstract][Full Text] [Related]  

  • 8. General Time Dependent Approach to Vibronic Spectroscopy Including Franck-Condon, Herzberg-Teller, and Duschinsky Effects.
    Baiardi A; Bloino J; Barone V
    J Chem Theory Comput; 2013 Sep; 9(9):4097-115. PubMed ID: 26592403
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Vibronic transitions in large molecular systems: rigorous prescreening conditions for Franck-Condon factors.
    Jankowiak HC; Stuber JL; Berger R
    J Chem Phys; 2007 Dec; 127(23):234101. PubMed ID: 18154369
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Quantum mechanical computations and spectroscopy: from small rigid molecules in the gas phase to large flexible molecules in solution.
    Barone V; Improta R; Rega N
    Acc Chem Res; 2008 May; 41(5):605-16. PubMed ID: 18307319
    [TBL] [Abstract][Full Text] [Related]  

  • 11. 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]  

  • 12. Theory for vibrationally resolved two-photon circular dichroism spectra. Application to (R)-(+)-3-methylcyclopentanone.
    Lin N; Santoro F; Rizzo A; Luo Y; Zhao X; Barone V
    J Phys Chem A; 2009 Apr; 113(16):4198-207. PubMed ID: 19253990
    [TBL] [Abstract][Full Text] [Related]  

  • 13. A method to reduce the size of the vibronic basis employed in the simulation of spectra using the multimode vibronic coupling approximation.
    Schuurman MS; Yarkony DR
    J Chem Phys; 2008 Jan; 128(4):044119. PubMed ID: 18247942
    [TBL] [Abstract][Full Text] [Related]  

  • 14. A new method to calculate Franck-Condon factors of multidimensional harmonic oscillators including the Duschinsky effect.
    Chang JL
    J Chem Phys; 2008 May; 128(17):174111. PubMed ID: 18465914
    [TBL] [Abstract][Full Text] [Related]  

  • 15. An efficient approach for the calculation of Franck-Condon integrals of large molecules.
    Dierksen M; Grimme S
    J Chem Phys; 2005 Jun; 122(24):244101. PubMed ID: 16035740
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Disentangling vibronic and solvent broadening effects in the absorption spectra of coumarin derivatives for dye sensitized solar cells.
    Cerezo J; Avila Ferrer FJ; Santoro F
    Phys Chem Chem Phys; 2015 May; 17(17):11401-11. PubMed ID: 25848730
    [TBL] [Abstract][Full Text] [Related]  

  • 17. The calculation of vibrational intensities in forbidden electronic transitions.
    Johnson PM; Xu H; Sears TJ
    J Chem Phys; 2006 Oct; 125(16):164330. PubMed ID: 17092096
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Perturbative calculation of Franck-Condon integrals: new hints for a rational implementation.
    Borrelli R; Peluso A
    J Chem Phys; 2008 Aug; 129(6):064116. PubMed ID: 18715060
    [TBL] [Abstract][Full Text] [Related]  

  • 19. First Principles Studies of the Vibrationally Resolved Magnetic Circular Dichroism Spectra of Biphenylene.
    Lin N; Solheim H; Zhao X; Santoro F; Ruud K
    J Chem Theory Comput; 2013 Mar; 9(3):1557-67. PubMed ID: 26587617
    [TBL] [Abstract][Full Text] [Related]  

  • 20. An analytical approach for computing Franck-Condon integrals of harmonic oscillators with arbitrary dimensions.
    Chang JL; Huang CH; Chen SC; Yin TH; Chen YT
    J Comput Chem; 2013 Apr; 34(9):757-65. PubMed ID: 23213002
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 11.