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 *

108 related articles for article (PubMed ID: 28393939)

  • 1. Investigating the optical properties of BOIMPY dyes using ab initio tools.
    Le Guennic B; Scalmani G; Frisch MJ; Laurent AD; Jacquemin D
    Phys Chem Chem Phys; 2017 Apr; 19(16):10554-10561. PubMed ID: 28393939
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Rationalisation of the optical signatures of nor-dihydroxanthene-hemicyanine fused near-infrared fluorophores by first-principle tools.
    Azarias C; Ponce-Vargas M; Navizet I; Fleurat-Lessard P; Romieu A; Le Guennic B; Richard JA; Jacquemin D
    Phys Chem Chem Phys; 2018 May; 20(17):12120-12128. PubMed ID: 29676420
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Electronic and optical properties of dye-sensitized TiO₂ interfaces.
    Pastore M; Selloni A; Fantacci S; De Angelis F
    Top Curr Chem; 2014; 347():1-45. PubMed ID: 24488437
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Structural and Optical Properties of Subporphyrinoids: A TD-DFT Study.
    Azarias C; Pawelek M; Jacquemin D
    J Phys Chem A; 2017 Jun; 121(22):4306-4317. PubMed ID: 28514149
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Taking up the cyanine challenge with quantum tools.
    Le Guennic B; Jacquemin D
    Acc Chem Res; 2015 Mar; 48(3):530-7. PubMed ID: 25710687
    [TBL] [Abstract][Full Text] [Related]  

  • 6. First principles investigation of the spectral properties of neutral, zwitterionic, and bis-cationic azaacenes.
    Guevara-Level P; Pascal S; Siri O; Jacquemin D
    Phys Chem Chem Phys; 2019 Oct; 21(41):22910-22918. PubMed ID: 31596289
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Improving the Accuracy of Excited-State Simulations of BODIPY and Aza-BODIPY Dyes with a Joint SOS-CIS(D) and TD-DFT Approach.
    Chibani S; Laurent AD; Le Guennic B; Jacquemin D
    J Chem Theory Comput; 2014 Oct; 10(10):4574-82. PubMed ID: 26588151
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Effect of methyl substituents on the electronic transitions in simple meso-aniline-BODIPY based dyes: RI-CC2 and TD-CAM-B3LYP computational investigation.
    Petrushenko IK; Petrushenko KB
    Spectrochim Acta A Mol Biomol Spectrosc; 2018 Feb; 190():239-245. PubMed ID: 28934702
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Proceedings of the Second Workshop on Theory meets Industry (Erwin-Schrödinger-Institute (ESI), Vienna, Austria, 12-14 June 2007).
    Hafner J
    J Phys Condens Matter; 2008 Feb; 20(6):060301. PubMed ID: 21693862
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Investigating the properties of PODIPYs (phosphorus-dipyrromethene) with ab initio tools.
    Fihey A; Favennec A; Le Guennic B; Jacquemin D
    Phys Chem Chem Phys; 2016 Apr; 18(14):9358-66. PubMed ID: 26514279
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Electronically excited states of vitamin B12: benchmark calculations including time-dependent density functional theory and correlated ab initio methods.
    Kornobis K; Kumar N; Wong BM; Lodowski P; Jaworska M; Andruniów T; Ruud K; Kozlowski PM
    J Phys Chem A; 2011 Feb; 115(7):1280-92. PubMed ID: 21280654
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Electronic absorption, vibrational spectra, nonlinear optical properties, NBO analysis and thermodynamic properties of N-(4-nitro-2-phenoxyphenyl) methanesulfonamide molecule by ab initio HF and density functional methods.
    Rajamani T; Muthu S; Karabacak M
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 May; 108():186-96. PubMed ID: 23474478
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Effect of meso-substituents on the electronic transitions of BODIPY dyes: DFT and RI-CC2 study.
    Petrushenko IK; Petrushenko KB
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar; 138():623-7. PubMed ID: 25541400
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Why do TD-DFT excitation energies of BODIPY/Aza-BODIPY families largely deviate from experiment? Answers from electron correlated and multireference methods.
    Momeni MR; Brown A
    J Chem Theory Comput; 2015 Jun; 11(6):2619-32. PubMed ID: 26575559
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Combining the Bethe-Salpeter Formalism with Time-Dependent DFT Excited-State Forces to Describe Optical Signatures: NBO Fluoroborates as Working Examples.
    Boulanger P; Chibani S; Le Guennic B; Duchemin I; Blase X; Jacquemin D
    J Chem Theory Comput; 2014 Oct; 10(10):4548-56. PubMed ID: 26588148
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Assessment of TD-DFT- and TD-HF-based approaches for the prediction of exciton coupling parameters, potential energy curves, and electronic characters of electronically excited aggregates.
    Liu W; Settels V; Harbach PH; Dreuw A; Fink RF; Engels B
    J Comput Chem; 2011 Jul; 32(9):1971-81. PubMed ID: 21484836
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Calculations of the light absorption spectra of porphyrinoid chromophores for dye-sensitized solar cells.
    Mera-Adasme R; Xu WH; Sundholm D; Mendizabal F
    Phys Chem Chem Phys; 2016 Oct; 18(40):27877-27884. PubMed ID: 27711639
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Hybrid dithienylethene-naphthopyran multi-addressable photochromes: an ab initio analysis.
    Jacquemin D; Perpète EA; Maurel F; Perrier A
    Phys Chem Chem Phys; 2010 Oct; 12(40):13144-52. PubMed ID: 20838697
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Ab initio excited state properties and dynamics of a prototype sigma-bridged-donor-acceptor molecule.
    Tapavicza E; Tavernelli I; Rothlisberger U
    J Phys Chem A; 2009 Sep; 113(35):9595-602. PubMed ID: 19663389
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Absorption and emission spectral shapes of a prototype dye in water by combining classical/dynamical and quantum/static approaches.
    Petrone A; Cerezo J; Ferrer FJ; Donati G; Improta R; Rega N; Santoro F
    J Phys Chem A; 2015 May; 119(21):5426-38. PubMed ID: 25699575
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.