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 *

153 related articles for article (PubMed ID: 21923082)

  • 1. Valence shell charge concentration (VSCC) evolution: a tool to investigate the transformations within a VSCC throughout a chemical reaction.
    Cortés-Guzmán F; Gómez RM; Rocha-Rinza T; Sánchez-Obregón MA; Guevara-Vela JM
    J Phys Chem A; 2011 Nov; 115(45):12924-32. PubMed ID: 21923082
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Curly arrows meet electron density transfers in chemical reaction mechanisms: from electron localization function (ELF) analysis to valence-shell electron-pair repulsion (VSEPR) inspired interpretation.
    Andrés J; Berski S; Silvi B
    Chem Commun (Camb); 2016 Jul; 52(53):8183-95. PubMed ID: 27218123
    [TBL] [Abstract][Full Text] [Related]  

  • 3. View of lone electron pairs and their role in structural chemistry.
    Brown ID
    J Phys Chem A; 2011 Nov; 115(45):12638-45. PubMed ID: 21714559
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Structural evolution: mechanism of olefin insertion in hydroformylation reaction.
    Salinas-Olvera JP; Gómez RM; Cortés-Guzman F
    J Phys Chem A; 2008 Apr; 112(13):2906-12. PubMed ID: 18303875
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Pnicogen bonds: a theoretical study based on the Laplacian of electron density.
    Eskandari K; Mahmoodabadi N
    J Phys Chem A; 2013 Dec; 117(48):13018-24. PubMed ID: 24246034
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Valence shell charge concentrations at pentacoordinate d0 transition-metal centers: non-VSEPR structures of Me2NbCl3 and Me3NbCl2.
    McGrady GS; Haaland A; Verne HP; Volden HV; Downs AJ; Shorokhov D; Eickerling G; Scherer W
    Chemistry; 2005 Aug; 11(17):4921-34. PubMed ID: 15940736
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Understanding the molecular mechanism of the 1,3-dipolar cycloaddition between fulminic acid and acetylene in terms of the electron localization function and catastrophe theory.
    Polo V; Andres J; Castillo R; Berski S; Silvi B
    Chemistry; 2004 Oct; 10(20):5165-72. PubMed ID: 15372667
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Understanding reaction mechanisms in organic chemistry from catastrophe theory applied to the electron localization function topology.
    Polo V; Andres J; Berski S; Domingo LR; Silvi B
    J Phys Chem A; 2008 Aug; 112(31):7128-36. PubMed ID: 18557601
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Bond order and valence indices: a personal account.
    Mayer I
    J Comput Chem; 2007 Jan; 28(1):204-21. PubMed ID: 17066501
    [TBL] [Abstract][Full Text] [Related]  

  • 10. A topological study of the geometry of AF6E molecules: weak and inactive lone pairs.
    Pilmé J; Robinson EA; Gillespie RJ
    Inorg Chem; 2006 Aug; 45(16):6198-204. PubMed ID: 16878928
    [TBL] [Abstract][Full Text] [Related]  

  • 11. The roles of electronic exchange and correlation in charge-transfer- to-solvent dynamics: Many-electron nonadiabatic mixed quantum/classical simulations of photoexcited sodium anions in the condensed phase.
    Glover WJ; Larsen RE; Schwartz BJ
    J Chem Phys; 2008 Oct; 129(16):164505. PubMed ID: 19045282
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Toward a physical understanding of electron-sharing two-center bonds. I. General aspects.
    Bitter T; Ruedenberg K; Schwarz WH
    J Comput Chem; 2007 Jan; 28(1):411-22. PubMed ID: 17143871
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Theoretical analysis of the electronic properties of the sex pheromone and its analogue derivatives in the female processionary moth Thaumetopoea pytiocampa.
    Chamorro ER; Sequeira AF; Zalazar MF; Peruchena NM
    Bioorg Med Chem; 2008 Sep; 16(18):8535-45. PubMed ID: 18752964
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Chemical pressure-chemical knowledge: squeezing bonds and lone pairs within the valence shell electron pair repulsion model.
    Lobato A; Osman HH; Salvadó MA; Taravillo M; Baonza VG; Recio JM
    Phys Chem Chem Phys; 2019 Jun; 21(23):12585-12596. PubMed ID: 31150030
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Structure and dynamics of the hydration shells of the Zn(2+) ion from ab initio molecular dynamics and combined ab initio and classical molecular dynamics simulations.
    Cauët E; Bogatko S; Weare JH; Fulton JL; Schenter GK; Bylaska EJ
    J Chem Phys; 2010 May; 132(19):194502. PubMed ID: 20499974
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Computational analysis of the mechanism of chemical reactions in terms of reaction phases: hidden intermediates and hidden transition States.
    Kraka E; Cremer D
    Acc Chem Res; 2010 May; 43(5):591-601. PubMed ID: 20232791
    [TBL] [Abstract][Full Text] [Related]  

  • 17. The valence bond way: reactivity patterns of cytochrome P450 enzymes and synthetic analogs.
    Shaik S; Lai W; Chen H; Wang Y
    Acc Chem Res; 2010 Aug; 43(8):1154-65. PubMed ID: 20527755
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Electronic structure of the acetonitrile and acetonitrile dimer anions: a topological investigation.
    Timerghazin QK; Peslherbe GH
    J Phys Chem B; 2008 Jan; 112(2):520-8. PubMed ID: 18154288
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Topological analysis of the electronic charge density in the ethene protonation reaction catalyzed by acidic zeolite.
    Zalazar MF; Peruchena NM
    J Phys Chem A; 2007 Aug; 111(32):7848-59. PubMed ID: 17658733
    [TBL] [Abstract][Full Text] [Related]  

  • 20. XeOF3(-), an example of an AX3YE2 valence shell electron pair repulsion arrangement; syntheses and structural characterizations of [M][XeOF3] (M = Cs, N(CH3)4).
    Brock DS; Mercier HP; Schrobilgen GJ
    J Am Chem Soc; 2010 Aug; 132(31):10935-43. PubMed ID: 20681727
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.