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 *

226 related articles for article (PubMed ID: 21800921)

  • 21. Comparative Analysis of Nickel-Phosphine Complexes with Cumulated Double Bond Ligands: Structural Insights and Electronic Interactions via ETS-NOCV and QTAIM Approaches.
    Kégl TR; Kégl T
    Molecules; 2024 Jan; 29(2):. PubMed ID: 38257236
    [TBL] [Abstract][Full Text] [Related]  

  • 22. 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]  

  • 23. QTAIM characteristics of halogen bond and related interactions.
    Grabowski SJ
    J Phys Chem A; 2012 Feb; 116(7):1838-45. PubMed ID: 22273113
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Can QTAIM topological parameters be a measure of hydrogen bonding strength?
    Mo Y
    J Phys Chem A; 2012 May; 116(21):5240-6. PubMed ID: 22574938
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Intramolecular hydrogen bonds: the QTAIM and ELF characteristics.
    Fuster F; Grabowski SJ
    J Phys Chem A; 2011 Sep; 115(35):10078-86. PubMed ID: 21777012
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Bond paths as privileged exchange channels.
    Pendás AM; Francisco E; Blanco MA; Gatti C
    Chemistry; 2007; 13(33):9362-71. PubMed ID: 17674344
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Multitask Quantum Study of the Curcumin-Based Complex Physicochemical and Biological Properties.
    Baira K; Ounissi A; Merouani H; Alam M; Ouddai N; Erto A; Yadav KK; Islam S; Cheon JK; Jeon BH; Benguerba Y
    Int J Mol Sci; 2022 Mar; 23(5):. PubMed ID: 35269972
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Combined QTAIM and ETS-NOCV investigation of the interactions in Cl
    Lakehal S; Lakehal A; Bouchagour M; Morell C; Chermette H
    J Mol Model; 2018 Oct; 24(11):327. PubMed ID: 30370435
    [TBL] [Abstract][Full Text] [Related]  

  • 29. New Pd(II) hemichelates devoid of incipient bridging COPd interactions.
    Werlé C; Anstine DM; Karmazin L; Bailly C; Ricard L; Djukic JP
    Dalton Trans; 2016 Jan; 45(2):607-17. PubMed ID: 26616718
    [TBL] [Abstract][Full Text] [Related]  

  • 30. The QTAIM approach to chemical bonding between transition metals and carbocyclic rings: a combined experimental and theoretical study of (eta(5)-C5H5)Mn(CO)3, (eta(6)-C6H6)Cr(CO)3, and (E)-{(eta(5)-C5H4)CF=CF(eta(5)-C5H4)}(eta(5)-C5H5)2Fe2.
    Farrugia LJ; Evans C; Lentz D; Roemer M
    J Am Chem Soc; 2009 Jan; 131(3):1251-68. PubMed ID: 19102692
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Orbital overlap and chemical bonding.
    Krapp A; Bickelhaupt FM; Frenking G
    Chemistry; 2006 Dec; 12(36):9196-216. PubMed ID: 17024702
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Two-way effects between hydrogen bond and intramolecular resonance effect: an ab initio study on complexes of formamide and its derivatives with water.
    Liu T; Li H; Huang MB; Duan Y; Wang ZX
    J Phys Chem A; 2008 Jun; 112(24):5436-47. PubMed ID: 18503289
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Do QTAIM metrics correlate with the strength of heavy element-ligand bonds?
    Mountain AR; Kaltsoyannis N
    Dalton Trans; 2013 Oct; 42(37):13477-86. PubMed ID: 23897486
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Chemical bonding in phosphane and amine complexes of main group elements and transition metals.
    Bessac F; Frenking G
    Inorg Chem; 2006 Aug; 45(17):6956-64. PubMed ID: 16903755
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Open shell versus closed shell bonding interaction in cyclopropane derivatives: EDA-NOCV analyses.
    Suthar S; Mondal KC
    J Comput Chem; 2023 Oct; 44(28):2184-2211. PubMed ID: 37530758
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Role played by isopropyl substituents in stabilizing the putative triple bond in Ar'EEAr' [E = Si, Ge, Sn; Ar' = C6H3-2,6-(C6H3-2,6-Pr(i)2)2] and Ar*PbPbAr* [Ar* = C6H3-2,6-(C6H2-2,4,6-Pr(i)3)2].
    Seidu I; Seth M; Ziegler T
    Inorg Chem; 2013 Aug; 52(15):8378-88. PubMed ID: 23855886
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Chemical bonds without "chemical bonding"? A combined experimental and theoretical charge density study on an iron trimethylenemethane complex.
    Farrugia LJ; Evans C; Tegel M
    J Phys Chem A; 2006 Jun; 110(25):7952-61. PubMed ID: 16789785
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Evidence of an unexpectedly long C-C bond (>2.7 A) in 1,3-metalladiyne complexes [Cp2MCCR]2 (M = Ti, Zr): QTAIM and ELF analyses.
    Vidal I; Melchor S; Dobado JA
    J Phys Chem A; 2008 Apr; 112(15):3414-23. PubMed ID: 18341305
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Transition from moderate to strong hydrogen bonds: its identification and physical bases in the case of O-H...O intramolecular hydrogen bonds.
    Mariam YH; Musin RN
    J Phys Chem A; 2008 Jan; 112(1):134-45. PubMed ID: 18067277
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Bond paths show preferable interactions: ab initio and QTAIM studies on the X-H...pi hydrogen bond.
    Grabowski SJ; Ugalde JM
    J Phys Chem A; 2010 Jul; 114(26):7223-9. PubMed ID: 20533848
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 12.