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 *

264 related articles for article (PubMed ID: 30485096)

  • 1. Assessment of Functionals for TDDFT Calculations of One- and Two-Photon Absorption Properties of Neutral and Anionic Fluorescent Proteins Chromophores.
    Grabarek D; Andruniów T
    J Chem Theory Comput; 2019 Jan; 15(1):490-508. PubMed ID: 30485096
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Two-Photon Absorption in Fluorescent Protein Chromophores: TDDFT and CC2 Results.
    Salem MA; Brown A
    J Chem Theory Comput; 2014 Aug; 10(8):3260-9. PubMed ID: 26588295
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Benchmarking two-photon absorption cross sections: performance of CC2 and CAM-B3LYP.
    Beerepoot MT; Friese DH; List NH; Kongsted J; Ruud K
    Phys Chem Chem Phys; 2015 Jul; 17(29):19306-14. PubMed ID: 26139162
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Benchmarking the Performance of Time-Dependent Density Functional Theory Methods on Biochromophores.
    Shao Y; Mei Y; Sundholm D; Kaila VRI
    J Chem Theory Comput; 2020 Jan; 16(1):587-600. PubMed ID: 31815476
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Quantifying the Performances of DFT for Predicting Vibrationally Resolved Optical Spectra: Asymmetric Fluoroborate Dyes as Working Examples.
    Bednarska J; Zaleśny R; Bartkowiak W; Ośmiałowski B; Medved' M; Jacquemin D
    J Chem Theory Comput; 2017 Sep; 13(9):4347-4356. PubMed ID: 28777575
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Benchmarking TD-DFT and Wave Function Methods for Oscillator Strengths and Excited-State Dipole Moments.
    Sarkar R; Boggio-Pasqua M; Loos PF; Jacquemin D
    J Chem Theory Comput; 2021 Feb; 17(2):1117-1132. PubMed ID: 33492950
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Dependence of Excited State Potential Energy Surfaces on the Spatial Overlap of the Kohn-Sham Orbitals and the Amount of Nonlocal Hartree-Fock Exchange in Time-Dependent Density Functional Theory.
    Plötner J; Tozer DJ; Dreuw A
    J Chem Theory Comput; 2010 Aug; 6(8):2315-24. PubMed ID: 26613488
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Benchmarking the Performance of Exchange-Correlation Functionals for Predicting Two-Photon Absorption Strengths.
    Beerepoot MTP; Alam MM; Bednarska J; Bartkowiak W; Ruud K; Zaleśny R
    J Chem Theory Comput; 2018 Jul; 14(7):3677-3685. PubMed ID: 29852067
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Absorption and fluorescence properties of oligothiophene biomarkers from long-range-corrected time-dependent density functional theory.
    Wong BM; Piacenza M; Della Sala F
    Phys Chem Chem Phys; 2009 Jun; 11(22):4498-508. PubMed ID: 19475168
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Determination of Two-Photon-Absorption Cross Sections Using Time-Dependent Density Functional Theory Tight Binding: Application to Fluorescent Protein Chromophores.
    Rossano-Tapia M; Brown A
    J Chem Theory Comput; 2019 May; 15(5):3153-3161. PubMed ID: 30896947
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Benchmarking DFT Functionals for Excited-State Calculations of Donor-Acceptor TADF Emitters: Insights on the Key Parameters Determining Reverse Inter-System Crossing.
    Hall D; Sancho-García JC; Pershin A; Beljonne D; Zysman-Colman E; Olivier Y
    J Phys Chem A; 2023 Jun; 127(21):4743-4757. PubMed ID: 37196185
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Development of a TDDFT-Based Protocol with Local Hybrid Functionals for the Screening of Potential Singlet Fission Chromophores.
    Grotjahn R; Maier TM; Michl J; Kaupp M
    J Chem Theory Comput; 2017 Oct; 13(10):4984-4996. PubMed ID: 28862856
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Excited-state absorption in tetrapyridyl porphyrins: comparing real-time and quadratic-response time-dependent density functional theory.
    Bowman DN; Asher JC; Fischer SA; Cramer CJ; Govind N
    Phys Chem Chem Phys; 2017 Oct; 19(40):27452-27462. PubMed ID: 28975162
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Assessment of TD-DFT and CC2 Methods for the Calculation of Resonance Raman Intensities: Application to o-Nitrophenol.
    Guthmuller J
    J Chem Theory Comput; 2011 Apr; 7(4):1082-9. PubMed ID: 26606356
    [TBL] [Abstract][Full Text] [Related]  

  • 15. 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]  

  • 16. Computational studies of the electronic absorption spectrum of [(2,2';6',2″-terpyridine)-Pt(II)-OH] [7,7,8,8-tetracyanoquinodimethane] complex.
    Rabaâ H; Taubert S; Sundholm D
    J Phys Chem A; 2013 Nov; 117(47):12363-73. PubMed ID: 24236772
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Benchmarking the Approximate Second-Order Coupled-Cluster Method on Biochromophores.
    Send R; Kaila VR; Sundholm D
    J Chem Theory Comput; 2011 Aug; 7(8):2473-84. PubMed ID: 26606621
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Coumarin dyes for dye-sensitized solar cells: A long-range-corrected density functional study.
    Wong BM; Cordaro JG
    J Chem Phys; 2008 Dec; 129(21):214703. PubMed ID: 19063571
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Influence of molecular geometry, exchange-correlation functional, and solvent effects in the modeling of vertical excitation energies in phthalocyanines using time-dependent density functional theory (TDDFT) and polarized continuum model TDDFT methods: can modern computational chemistry methods explain experimental controversies?
    Nemykin VN; Hadt RG; Belosludov RV; Mizuseki H; Kawazoe Y
    J Phys Chem A; 2007 Dec; 111(50):12901-13. PubMed ID: 18004829
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Benchmarking Density Functional Approximations for Excited-State Properties of Fluorescent Dyes.
    Grabarz AM; Ośmiałowski B
    Molecules; 2021 Dec; 26(24):. PubMed ID: 34946515
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 14.