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: 32470911)

  • 1. A DFT study on the metal ion selectivity of deferiprone complexes.
    Kaviani S; Izadyar M; Housaindokht MR
    Comput Biol Chem; 2020 Jun; 86():107267. PubMed ID: 32470911
    [TBL] [Abstract][Full Text] [Related]  

  • 2. DFT-B3LYP, NPA-, and QTAIM-based study of the physical properties of [M(II)(H2O)2(15-crown-5)] (M = Mn, Fe, Co, Ni, Cu, Zn) complexes.
    Varadwaj PR; Varadwaj A; Marques HM
    J Phys Chem A; 2011 Jun; 115(22):5592-601. PubMed ID: 21568260
    [TBL] [Abstract][Full Text] [Related]  

  • 3. DFT investigation on the selective complexation of Fe
    Kaviani S; Izadyar M; Housaindokht MR
    J Mol Graph Model; 2018 Mar; 80():182-189. PubMed ID: 29414037
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Metal-metal and metal-ligand bonding at a QTAIM catastrophe: a combined experimental and theoretical charge density study on the alkylidyne cluster Fe3(μ-H)(μ-COMe)(CO)10.
    Farrugia LJ; Senn HM
    J Phys Chem A; 2010 Dec; 114(51):13418-33. PubMed ID: 21182291
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Selectivity of the highly preorganized tetradentate ligand 2,9-di(pyrid-2-yl)-1,10-phenanthroline for metal ions in aqueous solution, including lanthanide(III) ions and the uranyl(VI) cation.
    Carolan AN; Cockrell GM; Williams NJ; Zhang G; VanDerveer DG; Lee HS; Thummel RP; Hancock RD
    Inorg Chem; 2013 Jan; 52(1):15-27. PubMed ID: 23231454
    [TBL] [Abstract][Full Text] [Related]  

  • 6. The physical chemistry of coordinated aqua-, ammine-, and mixed-ligand Co2+ complexes: DFT studies on the structure, energetics, and topological properties of the electron density.
    Varadwaj PR; Marques HM
    Phys Chem Chem Phys; 2010 Mar; 12(9):2126-38. PubMed ID: 20165761
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Assessment of density functionals and paucity of non-covalent interactions in aminoylyne complexes of molybdenum and tungsten [(η(5)-C5H5)(CO)2M≡EN(SiMe3)(R)] (E = Si, Ge, Sn, Pb): a dispersion-corrected DFT study.
    Pandey KK; Patidar P; Bariya PK; Patidar SK; Vishwakarma R
    Dalton Trans; 2014 Jul; 43(26):9955-67. PubMed ID: 24850167
    [TBL] [Abstract][Full Text] [Related]  

  • 8. MP2, density functional theory, and molecular mechanical calculations of C-H...pi and hydrogen bond interactions in a cellulose-binding module-cellulose model system.
    Mohamed MN; Watts HD; Guo J; Catchmark JM; Kubicki JD
    Carbohydr Res; 2010 Aug; 345(12):1741-51. PubMed ID: 20580346
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Experimental bond critical point and local energy density properties determined for Mn-O, Fe-O, and Co-O bonded interactions for tephroite, Mn2SiO4, fayalite, Fe2SiO4, and Co2SiO4 olivine and selected organic metal complexes: comparison with properties calculated for non-transition and transition metal M-O bonded interactions for silicates and oxides.
    Gibbs GV; Downs RT; Cox DF; Rosso KM; Ross NL; Kirfel A; Lippmann T; Morgenroth W; Crawford TD
    J Phys Chem A; 2008 Sep; 112(37):8811-23. PubMed ID: 18714960
    [TBL] [Abstract][Full Text] [Related]  

  • 10. A DFT study on the complex formation between desferrithiocin and metal ions (Mg
    Kaviani S; Izadyar M; Housaindokht MR
    Comput Biol Chem; 2017 Apr; 67():114-121. PubMed ID: 28068516
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Intermolecular CH···O/N H-bonds in the biologically important pairs of natural nucleobases: a thorough quantum-chemical study.
    Brovarets' OO; Yurenko YP; Hovorun DM
    J Biomol Struct Dyn; 2014; 32(6):993-1022. PubMed ID: 23730732
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Linear M[triple bond]E-Me versus bent M-E-Me: bonding analysis in heavier metal-ylidyne complexes [(Cp)(CO)2M[triple bond]EMe] and metallo-ylidenes [(Cp)(CO)3M-EMe] (M = Cr, Mo, W; E = Si, Ge, Sn, Pb).
    Pandey KK; Lledós A
    Inorg Chem; 2009 Apr; 48(7):2748-59. PubMed ID: 19256519
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Metal complexation and biodegradation of EDTA and S,S-EDDS: a density functional theory study.
    Chen L; Liu T; Ma C
    J Phys Chem A; 2010 Jan; 114(1):443-54. PubMed ID: 20017479
    [TBL] [Abstract][Full Text] [Related]  

  • 14. A DFT study of the interaction between [Cd(H
    da Silva VHM; Quattrociocchi DGS; Stoyanov SR; Carneiro JWM; da Costa LM; Ferreira GB
    J Mol Model; 2018 Jan; 24(1):39. PubMed ID: 29313121
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Energy analysis of metal-ligand bonding in transition metal complexes with terminal group-13 diyl ligands (CO)(4)Fe-ER, Fe(EMe)(5) and Ni(EMe)(4) (E = B-Tl; R = Cp, N(SiH(3))(2), Ph, Me) reveals significant pi bonding in homoleptical molecules.
    Uddin J; Frenking G
    J Am Chem Soc; 2001 Feb; 123(8):1683-93. PubMed ID: 11456768
    [TBL] [Abstract][Full Text] [Related]  

  • 16. A structure-based analysis of the vibrational spectra of nitrosyl ligands in transition-metal coordination complexes and clusters.
    De La Cruz C; Sheppard N
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Jan; 78(1):7-28. PubMed ID: 21123107
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Electronic structure of 3d[M(H2O)6](3+) ions from Sc(III) to Fe(III): a quantum mechanical study based on DFT computations and natural bond orbital analyses.
    Kallies B; Meier R
    Inorg Chem; 2001 Jun; 40(13):3101-12. PubMed ID: 11399179
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Structural, Electronic, and Spectral Properties of Metal Dimethylglyoximato [M(DMG)
    Ali SY; Reddy KD; Manna AK
    J Phys Chem A; 2019 Oct; 123(42):9166-9174. PubMed ID: 31599589
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Interactions of metal ions with water: ab initio molecular orbital studies of structure, vibrational frequencies, charge distributions, bonding enthalpies, and deprotonation enthalpies. 2. Monohydroxides.
    Trachtman M; Markham GD; Glusker JP; George P; Bock CW
    Inorg Chem; 2001 Aug; 40(17):4230-41. PubMed ID: 11487327
    [TBL] [Abstract][Full Text] [Related]  

  • 20. DFT-UX3LYP studies on the coordination chemistry of Ni2+. Part 1: Six coordinate [Ni(NH3)n(H2O)(6-n)]2+ complexes.
    Varadwaj PR; Cukrowski I; Marques HM
    J Phys Chem A; 2008 Oct; 112(42):10657-66. PubMed ID: 18823109
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 11.