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 *

79 related articles for article (PubMed ID: 17915835)

  • 1. Silylenes: a unified picture of their stability, acid-base and spin properties, nucleophilicity, and electrophilicity via computational and conceptual density functional theory.
    Olah J; Veszprémi T; De Proft F; Geerlings P
    J Phys Chem A; 2007 Oct; 111(42):10815-23. PubMed ID: 17915835
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Interconnected bis-silylenes: a new dimension in organosilicon chemistry.
    Sen SS; Khan S; Nagendran S; Roesky HW
    Acc Chem Res; 2012 Apr; 45(4):578-87. PubMed ID: 22214597
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Enzymatic catalysis: the emerging role of conceptual density functional theory.
    Roos G; Geerlings P; Messens J
    J Phys Chem B; 2009 Oct; 113(41):13465-75. PubMed ID: 19754087
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Electrophilicity and Nucleophilicity of Boryl Radicals.
    Wu C; Hou X; Zheng Y; Li P; Lu D
    J Org Chem; 2017 Mar; 82(6):2898-2905. PubMed ID: 28224797
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Are electrophilicity and electrofugality related concepts? A density functional theory study.
    Ormazábal-Toledo R; Campodónico PR; Contreras R
    Org Lett; 2011 Feb; 13(4):822-4. PubMed ID: 21235256
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Substitution effects on novel bicyclo[2.2.1]hepta-7-silylenes by DFT.
    Abedini N; Kassaee MZ
    J Mol Model; 2021 Apr; 27(5):121. PubMed ID: 33821315
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Tuning electronic properties of functionalized polyhedral oligomeric silsesquioxanes: a DFT and TDDFT study.
    Zhen CG; Becker U; Kieffer J
    J Phys Chem A; 2009 Sep; 113(35):9707-14. PubMed ID: 19670902
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Toward understanding metal-binding specificity of porphyrin: a conceptual density functional theory study.
    Feng XT; Yu JG; Lei M; Fang WH; Liu S
    J Phys Chem B; 2009 Oct; 113(40):13381-9. PubMed ID: 19751061
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Applications of the Conceptual Density Functional Theory Indices to Organic Chemistry Reactivity.
    Domingo LR; Ríos-Gutiérrez M; Pérez P
    Molecules; 2016 Jun; 21(6):. PubMed ID: 27294896
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Global and local reactivity indices for electrophilic/nucleophilic free radicals.
    Domingo LR; Pérez P
    Org Biomol Chem; 2013 Jul; 11(26):4350-8. PubMed ID: 23685829
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Theoretical study on the effect of annelation and carbonylation on the electronic and ligand properties of N-heterocyclic silylenes and germylenes: carbene comparisons begin to break down.
    Guha AK; Phukan AK
    J Org Chem; 2014 May; 79(9):3830-7. PubMed ID: 24738711
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Conduction pathway of pi-stacked ethylbenzene molecular wires on Si(100).
    Smeu M; Wolkow RA; Guo H
    J Am Chem Soc; 2009 Aug; 131(31):11019-26. PubMed ID: 19603787
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Cross-Conjugated Systems Based On An (E)-Hexa-3-en-1,5-diyne-3,4-diyl Skeleton: Spectroscopic and Spectroelectrochemical Investigations.
    Gluyas JB; Manici V; Gückel S; Vincent KB; Yufit DS; Howard JA; Skelton BW; Beeby A; Kaupp M; Low PJ
    J Org Chem; 2015 Nov; 80(22):11501-12. PubMed ID: 26496049
    [TBL] [Abstract][Full Text] [Related]  

  • 14. The effect of spin polarization on zero field splitting parameters in paramagnetic pi-electron molecules.
    van Gastel M
    J Chem Phys; 2009 Sep; 131(12):124111. PubMed ID: 19791856
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Physical and chemical characterization of Pt(12-n)Cu(n) clusters via ab initio calculations.
    Mejía-López J; García G; Romero AH
    J Chem Phys; 2009 Jul; 131(4):044701. PubMed ID: 19655903
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Magnetic and spectroscopic properties of mixed valence manganese(III,IV) dimers: a systematic study using broken symmetry density functional theory.
    Orio M; Pantazis DA; Petrenko T; Neese F
    Inorg Chem; 2009 Aug; 48(15):7251-60. PubMed ID: 19722694
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Theoretical study on the stability of osmasilabenzynes.
    Huang Y; Wang X; An K; Fan J; Zhu J
    Dalton Trans; 2014 May; 43(20):7570-6. PubMed ID: 24695859
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Effects of substituent and leaving group on the gas-phase SN2 reactions of phenoxides with halomethanes: a DFT investigation.
    Li QG; Xue Y
    J Phys Chem A; 2009 Sep; 113(38):10359-66. PubMed ID: 19711938
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Understanding the mechanism of polar Diels-Alder reactions.
    Domingo LR; Sáez JA
    Org Biomol Chem; 2009 Sep; 7(17):3576-83. PubMed ID: 19675915
    [TBL] [Abstract][Full Text] [Related]  

  • 20. The linear response kernel of conceptual DFT as a measure of aromaticity.
    Sablon N; De Proft F; Solà M; Geerlings P
    Phys Chem Chem Phys; 2012 Mar; 14(11):3960-7. PubMed ID: 22322586
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 4.