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 *

103 related articles for article (PubMed ID: 34550695)

  • 1. Theoretical Prediction and Interpretation of
    Motta LC; Autschbach J
    J Chem Theory Comput; 2021 Oct; 17(10):6166-6179. PubMed ID: 34550695
    [TBL] [Abstract][Full Text] [Related]  

  • 2.
    Motta LC; Autschbach J
    J Chem Theory Comput; 2022 Jun; 18(6):3483-3496. PubMed ID: 35594193
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Theoretical Evaluation of Metal-Ligand Bonding in Neptunium Compounds in Relation to
    Motta LC; Autschbach J
    Inorg Chem; 2022 Aug; 61(34):13399-13412. PubMed ID: 35960509
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Benchmark study of the Mössbauer isomer shifts of Eu and Np complexes by relativistic DFT calculations for understanding the bonding nature of f-block compounds.
    Kaneko M; Miyashita S; Nakashima S
    Dalton Trans; 2015 May; 44(17):8080-8. PubMed ID: 25832357
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Theoretical 57Fe Mössbauer spectroscopy: isomer shifts of [Fe]-hydrogenase intermediates.
    Hedegård ED; Knecht S; Ryde U; Kongsted J; Saue T
    Phys Chem Chem Phys; 2014 Mar; 16(10):4853-63. PubMed ID: 24468665
    [TBL] [Abstract][Full Text] [Related]  

  • 6. (57)Fe Mössbauer isomer shifts of heme protein model systems: electronic structure calculations.
    Zhang Y; Mao J; Oldfield E
    J Am Chem Soc; 2002 Jul; 124(26):7829-39. PubMed ID: 12083937
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Mössbauer isomer shifts and effective contact densities obtained by the exact two-component (X2C) relativistic method and its local variants.
    Zhu H; Gao C; Filatov M; Zou W
    Phys Chem Chem Phys; 2020 Dec; 22(46):26776-26786. PubMed ID: 33210680
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Influence of Hartree-Fock exchange on the calculated Mössbauer isomer shifts and quadrupole splittings in ferrocene derivatives using density functional theory.
    Nemykin VN; Hadt RG
    Inorg Chem; 2006 Oct; 45(20):8297-307. PubMed ID: 16999430
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Mössbauer characterization of an unusual high-spin side-on peroxo-Fe3+ species in the active site of superoxide reductase from Desulfoarculus Baarsii. Density functional calculations on related models.
    Horner O; Mouesca JM; Oddou JL; Jeandey C; Nivière V; Mattioli TA; Mathé C; Fontecave M; Maldivi P; Bonville P; Halfen JA; Latour JM
    Biochemistry; 2004 Jul; 43(27):8815-25. PubMed ID: 15236590
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Density Functional Calculations for Prediction of
    McWilliams SF; Brennan-Wydra E; MacLeod KC; Holland PL
    ACS Omega; 2017 Jun; 2(6):2594-2606. PubMed ID: 28691111
    [TBL] [Abstract][Full Text] [Related]  

  • 11. A density functional theory investigation of Fe-N-O bonding in heme proteins and model systems.
    Zhang Y; Gossman W; Oldfield E
    J Am Chem Soc; 2003 Dec; 125(52):16387-96. PubMed ID: 14692781
    [TBL] [Abstract][Full Text] [Related]  

  • 12. DFT Approach to the Calculation of Mössbauer Isomer Shifts.
    Kurian R; Filatov M
    J Chem Theory Comput; 2008 Feb; 4(2):278-85. PubMed ID: 26620659
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Performance of nonrelativistic and quasi-relativistic hybrid DFT for the prediction of electric and magnetic hyperfine parameters in 57Fe Mössbauer spectra.
    Sinnecker S; Slep LD; Bill E; Neese F
    Inorg Chem; 2005 Apr; 44(7):2245-54. PubMed ID: 15792459
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Relativistic quantum calculations to understand the contribution of f-type atomic orbitals and chemical bonding of actinides with organic ligands.
    Zapata-Escobar AD; Pakhira S; Barroso-Flores J; Aucar GA; Mendoza-Cortes JL
    Phys Chem Chem Phys; 2023 Feb; 25(7):5592-5601. PubMed ID: 36727265
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Dispersion-Corrected Relativistic Density Functional Theory (DFT) Calculations of Structure and (119)Sn Mössbauer Parameters for M≡SnR Bonding in Filippou's Stannylidyne Complexes of Molybdenum and Tungsten.
    Pandey KK
    Inorg Chem; 2015 Nov; 54(22):10849-54. PubMed ID: 26496184
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Is the corrolate macrocycle innocent or noninnocent? Magnetic susceptibility, Mössbauer, 1H NMR, and DFT investigations of chloro- and phenyliron corrolates.
    Zakharieva O; Schünemann V; Gerdan M; Licoccia S; Cai S; Walker FA; Trautwein AX
    J Am Chem Soc; 2002 Jun; 124(23):6636-48. PubMed ID: 12047184
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Computation of Mössbauer isomer shifts from first principles.
    Zwanziger JW
    J Phys Condens Matter; 2009 May; 21(19):195501. PubMed ID: 21825488
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Kohn-Sham calculations of NMR shifts for paramagnetic 3d metal complexes: protocols, delocalization error, and the curious amide proton shifts of a high-spin iron(ii) macrocycle complex.
    Martin B; Autschbach J
    Phys Chem Chem Phys; 2016 Aug; 18(31):21051-68. PubMed ID: 26952694
    [TBL] [Abstract][Full Text] [Related]  

  • 19. DFT calculations of isomer shifts and quadrupole splitting parameters in synthetic iron-oxo complexes: applications to methane monooxygenase and ribonucleotide reductase.
    Liu T; Lovell T; Han WG; Noodleman L
    Inorg Chem; 2003 Aug; 42(17):5244-51. PubMed ID: 12924895
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Nitrogen Reduction by Multimetallic trans-Uranium Actinide Complexes: A Theoretical Comparison of Np and Pu to U.
    Panthi D; Adeyiga O; Dandu NK; Odoh SO
    Inorg Chem; 2019 May; 58(10):6731-6741. PubMed ID: 31050297
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.