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 *

125 related articles for article (PubMed ID: 37345733)

  • 1. Strategies to Calculate Fukui Functions and Applications to Radicals with SOMO-HOMO Inversion.
    Morgante P; Autschbach J
    J Chem Theory Comput; 2023 Jul; 19(13):3929-3942. PubMed ID: 37345733
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Organic radicals with inversion of SOMO and HOMO energies and potential applications in optoelectronics.
    Kasemthaveechok S; Abella L; Crassous J; Autschbach J; Favereau L
    Chem Sci; 2022 Aug; 13(34):9833-9847. PubMed ID: 36128246
    [TBL] [Abstract][Full Text] [Related]  

  • 3. SOMO-HOMO Level Inversion in Biologically Important Radicals.
    Kumar A; Sevilla MD
    J Phys Chem B; 2018 Jan; 122(1):98-105. PubMed ID: 29240424
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Reactions of a distonic peroxyl radical anion influenced by SOMO-HOMO conversion: an example of anion-directed channel switching.
    So S; Kirk BB; Wille U; Trevitt AJ; Blanksby SJ; da Silva G
    Phys Chem Chem Phys; 2020 Jan; 22(4):2130-2141. PubMed ID: 31912066
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Carbazole Isomerism in Helical Radical Cations: Spin Delocalization and SOMO-HOMO Level Inversion in the Diradical State.
    Kasemthaveechok S; Abella L; Jean M; Cordier M; Vanthuyne N; Guizouarn T; Cador O; Autschbach J; Crassous J; Favereau L
    J Am Chem Soc; 2022 Apr; 144(16):7253-7263. PubMed ID: 35413200
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Axially and Helically Chiral Cationic Radical Bicarbazoles: SOMO-HOMO Level Inversion and Chirality Impact on the Stability of Mono- and Diradical Cations.
    Kasemthaveechok S; Abella L; Jean M; Cordier M; Roisnel T; Vanthuyne N; Guizouarn T; Cador O; Autschbach J; Crassous J; Favereau L
    J Am Chem Soc; 2020 Nov; ():. PubMed ID: 33201694
    [TBL] [Abstract][Full Text] [Related]  

  • 7. SOMO-HOMO Conversion in Triplet Cyclopentane-1,3-diyl Diradicals.
    Wang Z; Murata R; Abe M
    ACS Omega; 2021 Sep; 6(35):22773-22779. PubMed ID: 34514248
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Doubly Spiro-Conjugated Chiral Carbocycles Exhibiting SOMO-HOMO Inversion in Persistent Radical Cations.
    Sakamaki T; Zhang Y; Fukuma S; Cruz CM; Valdivia AC; Campaña AG; Casado J; Shang R; Nakamura E
    J Am Chem Soc; 2024 May; 146(18):12712-12722. PubMed ID: 38655573
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Thiophene-Based Double Helices: Radical Cations with SOMO-HOMO Energy Level Inversion.
    Rajca A; Shu C; Zhang H; Zhang S; Wang H; Rajca S
    Photochem Photobiol; 2021 Nov; 97(6):1376-1390. PubMed ID: 34152605
    [TBL] [Abstract][Full Text] [Related]  

  • 10. On Koopmans' theorem in density functional theory.
    Tsuneda T; Song JW; Suzuki S; Hirao K
    J Chem Phys; 2010 Nov; 133(17):174101. PubMed ID: 21054000
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Non-Aufbau electronic structure in radical enzymes and control of the highly reactive intermediates.
    Khalilian MH; DiLabio GA
    Chem Sci; 2024 Jul; 15(30):11865-11874. PubMed ID: 39092113
    [TBL] [Abstract][Full Text] [Related]  

  • 12. In pursuit of negative Fukui functions: examples where the highest occupied molecular orbital fails to dominate the chemical reactivity.
    Echegaray E; Cárdenas C; Rabi S; Rabi N; Lee S; Zadeh FH; Toro-Labbe A; Anderson JS; Ayers PW
    J Mol Model; 2013 Jul; 19(7):2779-83. PubMed ID: 23090502
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Observation of SOMO-HOMO Inversion in a Neutral Polycyclic Conjugated Hydrocarbon.
    Mishra S; Vilas-Varela M; Fatayer S; Albrecht F; Peña D; Gross L
    ACS Nano; 2024 Jun; 18(24):15898-15904. PubMed ID: 38833667
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Long-range corrected functionals satisfy Koopmans' theorem: calculation of correlation and relaxation energies.
    Kar R; Song JW; Hirao K
    J Comput Chem; 2013 Apr; 34(11):958-64. PubMed ID: 23299544
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Excited-State Properties of Some Thermally Activated Delayed Fluorescence Emitters: Quest for an Accurate and Reliable Computational Method.
    Rohman S; Kar R
    J Phys Chem A; 2022 Jun; 126(22):3452-3462. PubMed ID: 35609339
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Switching radical stability by pH-induced orbital conversion.
    Gryn'ova G; Marshall DL; Blanksby SJ; Coote ML
    Nat Chem; 2013 Jun; 5(6):474-81. PubMed ID: 23695628
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Orbital energies and negative electron affinities from density functional theory: Insight from the integer discontinuity.
    Teale AM; De Proft F; Tozer DJ
    J Chem Phys; 2008 Jul; 129(4):044110. PubMed ID: 18681637
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Assessment of Tuning Methods for Enforcing Approximate Energy Linearity in Range-Separated Hybrid Functionals.
    Gledhill JD; Peach MJ; Tozer DJ
    J Chem Theory Comput; 2013 Oct; 9(10):4414-20. PubMed ID: 26589158
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Shedding Light on the Accuracy of Optimally Tuned Range-Separated Approximations for Evaluating Oxidation Potentials.
    Alipour M; Mohseni S
    J Phys Chem A; 2017 Jun; 121(21):4189-4201. PubMed ID: 28513157
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Ionisation potential theorem in the presence of the electric field: Assessment of range-separated functional in the reproduction of orbital and excitation energies.
    Borpuzari MP; Boruah A; Kar R
    J Chem Phys; 2016 Apr; 144(16):164113. PubMed ID: 27131537
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.