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 *

188 related articles for article (PubMed ID: 35585034)

  • 1. Optical Activity of Spin-Forbidden Electronic Transitions in Metal Complexes from Time-Dependent Density Functional Theory with Spin-Orbit Coupling.
    Ludowieg HD; Srebro-Hooper M; Crassous J; Autschbach J
    ChemistryOpen; 2022 May; 11(5):e202200020. PubMed ID: 35585034
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Spin-orbit coupling in phosphorescent iridium(III) complexes.
    Smith AR; Burn PL; Powell BJ
    Chemphyschem; 2011 Sep; 12(13):2429-38. PubMed ID: 21786381
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Spin-orbit relativistic long-range corrected time-dependent density functional theory for investigating spin-forbidden transitions in photochemical reactions.
    Nakata A; Tsuneda T; Hirao K
    J Chem Phys; 2011 Dec; 135(22):224106. PubMed ID: 22168679
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Spin-Orbit Natural Transition Orbitals and Spin-Forbidden Transitions.
    Feng R; Yu X; Autschbach J
    J Chem Theory Comput; 2021 Dec; 17(12):7531-7544. PubMed ID: 34792327
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Relativistic Zeroth-Order Regular Approximation Combined with Nonhybrid and Hybrid Density Functional Theory: Performance for NMR Indirect Nuclear Spin-Spin Coupling in Heavy Metal Compounds.
    Moncho S; Autschbach J
    J Chem Theory Comput; 2010 Jan; 6(1):223-34. PubMed ID: 26614333
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Calculating transition dipole moments of phosphorescent emitters for efficient organic light-emitting diodes.
    Babazadeh M; Burn PL; Huang DM
    Phys Chem Chem Phys; 2019 May; 21(19):9740-9746. PubMed ID: 31038515
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Variational versus Perturbational Treatment of Spin-Orbit Coupling in Relativistic Density Functional Calculations of Electronic g Factors: Effects from Spin-Polarization and Exact Exchange.
    Verma P; Autschbach J
    J Chem Theory Comput; 2013 Feb; 9(2):1052-67. PubMed ID: 26588748
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Relativistic DFT Calculations of Hyperfine Coupling Constants in 5d Hexafluorido Complexes: [ReF
    Haase PAB; Repisky M; Komorovsky S; Bendix J; Sauer SPA
    Chemistry; 2018 Apr; 24(20):5124-5133. PubMed ID: 29027277
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Molecular and Electronic Structures of Homoleptic Six-Coordinate Cobalt(I) Complexes of 2,2':6',2″-Terpyridine, 2,2'-Bipyridine, and 1,10-Phenanthroline. An Experimental and Computational Study.
    England J; Bill E; Weyhermüller T; Neese F; Atanasov M; Wieghardt K
    Inorg Chem; 2015 Dec; 54(24):12002-18. PubMed ID: 26636830
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Going beyond the electric-dipole approximation in the calculation of absorption and (magnetic) circular dichroism spectra including scalar relativistic and spin-orbit coupling effects.
    Foglia NO; Maganas D; Neese F
    J Chem Phys; 2022 Aug; 157(8):084120. PubMed ID: 36050038
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Relativistic Density Functional Calculations of Hyperfine Coupling with Variational versus Perturbational Treatment of Spin-Orbit Coupling.
    Verma P; Autschbach J
    J Chem Theory Comput; 2013 Apr; 9(4):1932-48. PubMed ID: 26583544
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Beyond Chiral Organic (p-Block) Chromophores for Circularly Polarized Luminescence: The Success of d-Block and f-Block Chiral Complexes.
    Doistau B; Jiménez JR; Piguet C
    Front Chem; 2020; 8():555. PubMed ID: 32850617
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Low-Temperature Luminescence in Organic Helicenes: Singlet versus Triplet State Circularly Polarized Emission.
    Dhbaibi K; Morgante P; Vanthuyne N; Autschbach J; Favereau L; Crassous J
    J Phys Chem Lett; 2023 Feb; 14(4):1073-1081. PubMed ID: 36700562
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Relativistic two-component formulation of time-dependent current-density functional theory: application to the linear response of solids.
    Romaniello P; de Boeij PL
    J Chem Phys; 2007 Nov; 127(17):174111. PubMed ID: 17994811
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Ab Initio Study of Circular Dichroism and Circularly Polarized Luminescence of Spin-Allowed and Spin-Forbidden Transitions: From Organic Ketones to Lanthanide Complexes.
    Gendron F; Moore Ii B; Cador O; Pointillart F; Autschbach J; Le Guennic B
    J Chem Theory Comput; 2019 Jul; 15(7):4140-4155. PubMed ID: 31125219
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Calculation of optical rotatory dispersion and electronic circular dichroism for tris-bidentate groups 8 and 9 metal complexes, with emphasis on exciton coupling.
    Rudolph M; Autschbach J
    J Phys Chem A; 2011 Mar; 115(12):2635-49. PubMed ID: 21375228
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Predicting phosphorescent lifetimes and zero-field splitting of organometallic complexes with time-dependent density functional theory including spin-orbit coupling.
    Mori K; Goumans TP; van Lenthe E; Wang F
    Phys Chem Chem Phys; 2014 Jul; 16(28):14523-30. PubMed ID: 24664116
    [TBL] [Abstract][Full Text] [Related]  

  • 18. A comparison of two-component and four-component approaches for calculations of spin-spin coupling constants and NMR shielding constants of transition metal cyanides.
    Wodyński A; Repiský M; Pecul M
    J Chem Phys; 2012 Jul; 137(1):014311. PubMed ID: 22779652
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Spin-Free CC2 Implementation of Induced Transitions between Singlet Ground and Triplet Excited States.
    Helmich-Paris B; Hättig C; van Wüllen C
    J Chem Theory Comput; 2016 Apr; 12(4):1892-904. PubMed ID: 26881830
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Electron-Spin Structure and Metal-Ligand Bonding in Open-Shell Systems from Relativistic EPR and NMR: A Case Study of Square-Planar Iridium Catalysts.
    Bora PL; Novotný J; Ruud K; Komorovsky S; Marek R
    J Chem Theory Comput; 2019 Jan; 15(1):201-214. PubMed ID: 30485092
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 10.