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 *

143 related articles for article (PubMed ID: 18795765)

  • 1. Direct space decomposition of ELI-D: interplay of charge density and pair-volume function for different bonding situations.
    Wagner FR; Kohout M; Grin Y
    J Phys Chem A; 2008 Oct; 112(40):9814-28. PubMed ID: 18795765
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Electron localizability indicators ELI-D and ELIA for highly correlated wavefunctions of homonuclear dimers. I. Li2, Be2, B2, and C2.
    Bezugly V; Wielgus P; Kohout M; Wagner FR
    J Comput Chem; 2010 May; 31(7):1504-19. PubMed ID: 20020484
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Electron localizability indicators ELI-D and ELIA for highly correlated wavefunctions of homonuclear dimers. II. N2, O2, F2, and Ne2.
    Bezugly V; Wielgus P; Kohout M; Wagner FR
    J Comput Chem; 2010 Sep; 31(12):2273-85. PubMed ID: 20340107
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Real-space indicators for chemical bonding. Experimental and theoretical electron density studies of four deltahedral boranes.
    Mebs S; Kalinowski R; Grabowsky S; Förster D; Kickbusch R; Justus E; Morgenroth W; Paulmann C; Luger P; Gabel D; Lentz D
    Inorg Chem; 2011 Jan; 50(1):90-103. PubMed ID: 21114266
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Charge decomposition analysis of the electron localizability indicator: a bridge between the orbital and direct space representation of the chemical bond.
    Wagner FR; Bezugly V; Kohout M; Grin Y
    Chemistry; 2007; 13(20):5724-41. PubMed ID: 17458839
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Electron localization function and electron localizability indicator applied to study the bonding in the peroxynitrous acid HOONO.
    Berski S; Latajka Z; Gordon AJ
    J Comput Chem; 2011 Jun; 32(8):1528-40. PubMed ID: 21284004
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Electron localizability indicators ELI and ELIA: the case of highly correlated wavefunctions for the argon atom.
    Bezugly V; Wielgus P; Wagner FR; Kohout M; Grin Y
    J Comput Chem; 2008 Jun; 29(8):1198-207. PubMed ID: 18069661
    [TBL] [Abstract][Full Text] [Related]  

  • 8. An algorithm to delineate and integrate topological basins in a three-dimensional quantum mechanical density function.
    Malcolm NO; Popelier PL
    J Comput Chem; 2003 Jul; 24(10):1276-82. PubMed ID: 12820135
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Topology of electron charge density for chemical bonds from valence bond theory: a probe of bonding types.
    Zhang L; Ying F; Wu W; Hiberty PC; Shaik S
    Chemistry; 2009; 15(12):2979-89. PubMed ID: 19191241
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Hapticity uncovered: real-space bonding indicators for zincocene chemistry.
    Mebs S; Chilleck MA; Grabowsky S; Braun T
    Chemistry; 2012 Sep; 18(37):11647-61. PubMed ID: 22893522
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Comparative analysis of electron-density and electron-localization function for dinuclear manganese complexes with bridging boron- and carbon-centered ligands.
    Götz K; Kaupp M; Braunschweig H; Stalke D
    Chemistry; 2009; 15(3):623-32. PubMed ID: 19040224
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Chemical bonding: from Lewis to atoms in molecules.
    Bader RF; Hernández-Trujillo J; Cortés-Guzmán F
    J Comput Chem; 2007 Jan; 28(1):4-14. PubMed ID: 17061242
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Electron localizability for hexagonal element structures.
    Baranov AI; Kohout M
    J Comput Chem; 2008 Oct; 29(13):2161-71. PubMed ID: 18432614
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Theoretical QTAIM, ELI-D, and Hirshfeld surface analysis of the Cu-(H)B interaction in [Cu2(bipy)2B10H10].
    Vologzhanina AV; Korlyukov AA; Avdeeva VV; Polyakova IN; Malinina EA; Kuznetsov NT
    J Phys Chem A; 2013 Dec; 117(49):13138-50. PubMed ID: 24200215
    [TBL] [Abstract][Full Text] [Related]  

  • 15. 8 - N rule and chemical bonding in main-group MgAgAs-type compounds.
    Bende D; Wagner FR; Grin Y
    Inorg Chem; 2015 Apr; 54(8):3970-8. PubMed ID: 25836014
    [TBL] [Abstract][Full Text] [Related]  

  • 16. FONO: a difficult case for theory. The ELF and ELI-D topological studies on the chemical bonding using correlated wavefunctions.
    Berski S; Gordon AJ; Latajka Z
    J Chem Phys; 2013 Apr; 138(13):134313. PubMed ID: 23574233
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Polar-Covalent Bonding Beyond the Zintl Picture in Intermetallic Rare-Earth Germanides.
    Freccero R; Solokha P; De Negri S; Saccone A; Grin Y; Wagner FR
    Chemistry; 2019 May; 25(26):6600-6612. PubMed ID: 30828887
    [TBL] [Abstract][Full Text] [Related]  

  • 18. New insights in quantum chemical topology studies using numerical grid-based analyses.
    Kozlowski D; Pilmé J
    J Comput Chem; 2011 Nov; 32(15):3207-17. PubMed ID: 21953556
    [TBL] [Abstract][Full Text] [Related]  

  • 19. The Cu7Sc cluster is a stable sigma-aromatic seven-membered ring.
    Höltzl T; Janssens E; Veldeman N; Veszprémi T; Lievens P; Nguyen MT
    Chemphyschem; 2008 Apr; 9(6):833-8. PubMed ID: 18386263
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Reactivity differences between α,β-unsaturated carbonyls and hydrazones investigated by experimental and theoretical electron density and electron localizability analyses.
    Grabowsky S; Weber M; Jayatilaka D; Chen YS; Grabowski MT; Brehme R; Hesse M; Schirmeister T; Luger P
    J Phys Chem A; 2011 Nov; 115(45):12715-32. PubMed ID: 21780784
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.