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 *

211 related articles for article (PubMed ID: 35080389)

  • 1. Choosing Bad versus Worse: Predictions of Two-Photon-Absorption Strengths Based on Popular Density Functional Approximations.
    Chołuj M; Alam MM; Beerepoot MTP; Sitkiewicz SP; Matito E; Ruud K; Zaleśny R
    J Chem Theory Comput; 2022 Feb; 18(2):1046-1060. PubMed ID: 35080389
    [TBL] [Abstract][Full Text] [Related]  

  • 2. 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]  

  • 3. 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]  

  • 4. Toward Accurate Two-Photon Absorption Spectrum Simulations: Exploring the Landscape beyond the Generalized Gradient Approximation.
    Ahmadzadeh K; Li X; Rinkevicius Z; Norman P; Zaleśny R
    J Phys Chem Lett; 2024 Feb; 15(4):969-974. PubMed ID: 38252270
    [TBL] [Abstract][Full Text] [Related]  

  • 5. 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]  

  • 6. Benchmarking two-photon absorption strengths of rhodopsin chromophore models with CC3 and CCSD methodologies: An assessment of popular density functional approximations.
    Sirimatayanant S; Andruniów T
    J Chem Phys; 2023 Mar; 158(9):094106. PubMed ID: 36889953
    [TBL] [Abstract][Full Text] [Related]  

  • 7. A new tuned range-separated density functional for the accurate calculation of second hyperpolarizabilities.
    Besalú-Sala P; Sitkiewicz SP; Salvador P; Matito E; Luis JM
    Phys Chem Chem Phys; 2020 Jun; 22(21):11871-11880. PubMed ID: 32441724
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Calculation of two-photon absorption strengths with the approximate coupled cluster singles and doubles model CC2 using the resolution-of-identity approximation.
    Friese DH; Hättig C; Ruud K
    Phys Chem Chem Phys; 2012 Jan; 14(3):1175-84. PubMed ID: 22130199
    [TBL] [Abstract][Full Text] [Related]  

  • 9. 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]  

  • 10. Beyond Explored Functionals: A Computational Journey of Two-Photon Absorption.
    Elayan IA; Rib L; A Mendes R; Brown A
    J Chem Theory Comput; 2024 May; 20(9):3879-3893. PubMed ID: 38648613
    [TBL] [Abstract][Full Text] [Related]  

  • 11. 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]  

  • 12. 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]  

  • 13. Spurious Oscillations Caused by Density Functional Approximations: Who is to Blame? Exchange or Correlation?
    Sitkiewicz SP; Ferradás RR; Ramos-Cordoba E; Zaleśny R; Matito E; Luis JM
    J Chem Theory Comput; 2024 Apr; 20(8):3144-3153. PubMed ID: 38570186
    [TBL] [Abstract][Full Text] [Related]  

  • 14. (1)La and (1)Lb States of Indole and Azaindole: Is Density Functional Theory Inadequate?
    Arulmozhiraja S; Coote ML
    J Chem Theory Comput; 2012 Feb; 8(2):575-84. PubMed ID: 26596606
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Electronic Band Shapes Calculated with Optimally Tuned Range-Separated Hybrid Functionals.
    Moore B; Charaf-Eddin A; Planchat A; Adamo C; Autschbach J; Jacquemin D
    J Chem Theory Comput; 2014 Oct; 10(10):4599-608. PubMed ID: 26588153
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Using non-empirically tuned range-separated functionals with simulated emission bands to model fluorescence lifetimes.
    Wong ZC; Fan WY; Chwee TS; Sullivan MB
    Phys Chem Chem Phys; 2017 Aug; 19(31):21046-21057. PubMed ID: 28748247
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Pitfall in simulations of vibronic TD-DFT spectra: diagnosis and assessment.
    Sitkiewicz SP; Matito E; Luis JM; Zaleśny R
    Phys Chem Chem Phys; 2023 Nov; 25(44):30193-30197. PubMed ID: 37905423
    [TBL] [Abstract][Full Text] [Related]  

  • 18. 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]  

  • 19. How does LCDFT compare to SAC-CI for the treatment of valence and Rydberg excited states of organic compounds?
    Alipour M
    J Phys Chem A; 2014 Mar; 118(9):1741-7. PubMed ID: 24559047
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Benchmarking two-photon absorption with CC3 quadratic response theory, and comparison with density-functional response theory.
    Paterson MJ; Christiansen O; Pawłowski F; Jorgensen P; Hättig C; Helgaker T; Sałek P
    J Chem Phys; 2006 Feb; 124(5):054322. PubMed ID: 16468884
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 11.