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 *

158 related articles for article (PubMed ID: 27802022)

  • 1. NMR J-Coupling Constants of Tl-Pt Bonded Metal Complexes in Aqueous Solution: Ab Initio Molecular Dynamics and Localized Orbital Analysis.
    Ducati LC; Marchenko A; Autschbach J
    Inorg Chem; 2016 Nov; 55(22):12011-12023. PubMed ID: 27802022
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Solvent effect on the
    Batista PR; Ducati LC; Autschbach J
    Phys Chem Chem Phys; 2021 Jun; 23(22):12864-12880. PubMed ID: 34075921
    [TBL] [Abstract][Full Text] [Related]  

  • 3. A theoretical study of the NMR spin-spin coupling constants of the complexes [(NC)(5)Pt-Tl(CN)(n)](n-) (n = 0-3) and [(NC)(5)Pt-Tl-Pt(CN)(5)](3-): a lesson on environmental effects.
    Autschbach J; Le Guennic B
    J Am Chem Soc; 2003 Nov; 125(44):13585-93. PubMed ID: 14583056
    [TBL] [Abstract][Full Text] [Related]  

  • 4. NMR properties of platinum--thallium bonded complexes: analysis of relativistic density functional theory results.
    Le Guennic B; Matsumoto K; Autschbach J
    Magn Reson Chem; 2004 Oct; 42 Spec no():S99-S116. PubMed ID: 15366046
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Analyzing molecular properties calculated with two-component relativistic methods using spin-free natural bond orbitals: NMR spin-spin coupling constants.
    Autschbach J
    J Chem Phys; 2007 Sep; 127(12):124106. PubMed ID: 17902892
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Binuclear Pt-Tl bonded complex with square pyramidal coordination around Pt: a combined multinuclear NMR, EXAFS, UV-Vis, and DFT/TDDFT study in dimethylsulfoxide solution.
    Purgel M; Maliarik M; Glaser J; Platas-Iglesias C; Persson I; Tóth I
    Inorg Chem; 2011 Jul; 50(13):6163-73. PubMed ID: 21639126
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Dynamic and relativistic effects on Pt-Pt indirect spin-spin coupling in aqueous solution studied by ab initio molecular dynamics and two- vs four-component density functional NMR calculations.
    Batista PR; Ducati LC; Autschbach J
    J Chem Phys; 2024 Mar; 160(11):. PubMed ID: 38497474
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Modification of binuclear Pt-Tl bonded complexes by attaching bipyridine ligands to the thallium site.
    Ma G; Kritikos M; Maliarik M; Glaser J
    Inorg Chem; 2004 Jul; 43(14):4328-40. PubMed ID: 15236546
    [TBL] [Abstract][Full Text] [Related]  

  • 9. NMR J-coupling constants in cisplatin derivatives studied by molecular dynamics and relativistic DFT.
    Sutter K; Truflandier LA; Autschbach J
    Chemphyschem; 2011 Jun; 12(8):1448-55. PubMed ID: 21381179
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Modeling of heavy-atom-ligand NMR spin-spin coupling in solution: molecular dynamics study and natural bond orbital analysis of Hg-C coupling constants.
    Zheng S; Autschbach J
    Chemistry; 2011 Jan; 17(1):161-73. PubMed ID: 21207613
    [TBL] [Abstract][Full Text] [Related]  

  • 11. 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]  

  • 12. Computational study and molecular orbital analysis of NMR shielding, spin-spin coupling, and electric field gradients of azido platinum complexes.
    Sutter K; Autschbach J
    J Am Chem Soc; 2012 Aug; 134(32):13374-85. PubMed ID: 22794134
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Solvent effects on 195Pt and 205Tl NMR chemical shifts of the complexes [(NC)5Pt--Tl(CN)n]n- (n=0-3), and [(NC)5Pt--Tl--Pt(CN)5]3- studied by relativistic density functional theory.
    Autschbach J; Le Guennic B
    Chemistry; 2004 May; 10(10):2581-9. PubMed ID: 15146529
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Theoretical calculation of the NMR spin-spin coupling constants and the NMR shifts allow distinguishability between the specific direct and the water-mediated binding of a divalent metal cation to guanine.
    Sychrovský V; Sponer J; Hobza P
    J Am Chem Soc; 2004 Jan; 126(2):663-72. PubMed ID: 14719966
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Uranyl Carbonate Complexes in Aqueous Solution and Their Ligand NMR Chemical Shifts and
    Marchenko A; Truflandier LA; Autschbach J
    Inorg Chem; 2017 Jul; 56(13):7384-7396. PubMed ID: 28598146
    [TBL] [Abstract][Full Text] [Related]  

  • 16. A theoretical investigation of the remarkable nuclear spin-spin coupling pattern in [(NC)(5)Pt-Tl(CN)](-).
    Autschbach J; Ziegler T
    J Am Chem Soc; 2001 Jun; 123(22):5320-4. PubMed ID: 11457395
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Probing the solvent shell with 195Pt chemical shifts: density functional theory molecular dynamics study of Pt(II) and Pt(IV) anionic complexes in aqueous solution.
    Truflandier LA; Autschbach J
    J Am Chem Soc; 2010 Mar; 132(10):3472-83. PubMed ID: 20166712
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Magnitude of finite-nucleus-size effects in relativistic density functional computations of indirect NMR nuclear spin-spin coupling constants.
    Autschbach J
    Chemphyschem; 2009 Sep; 10(13):2274-83. PubMed ID: 19670399
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Spectral and structural characterization of amidate-bridged platinum-thallium complexes with strong metal-metal bonds.
    Chen W; Liu F; Matsumoto K; Autschbach J; Le Guennic B; Ziegler T; Maliarik M; Glaser J
    Inorg Chem; 2006 May; 45(11):4526-36. PubMed ID: 16711703
    [TBL] [Abstract][Full Text] [Related]  

  • 20. NMR and DFT analysis of trisaccharide from heparin repeating sequence.
    Hricovíni M; Driguez PA; Malkina OL
    J Phys Chem B; 2014 Oct; 118(41):11931-42. PubMed ID: 25254635
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.