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  • 1
    Digitale Medien
    Digitale Medien
    Ab initio study of the HCO 3 − /H2O exchange in the (NH3)3 ZnII(HCO 3 − ) complex (1995)
    Springer
    Theoretical chemistry accounts 91 (1995), S. 333-351 
    Details
    ISSN: 1432-2234
    Schlagwort(e): Carbonic anhydrase (CA) ; HCO 3 − /H2O exchange ; Continuum model ; Environmental effects
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Summary The displacement of bicarbonate anion in the (NH3)3ZnII(HCO 3 − ) complex with water has been studied throughab initio calculations. It has been found that H2O binds to the (NH3)3ZnII(HCO 3 − ) species yielding a stable pentacoordinate (NH3)3ZnII(HCO 3 − )(H2O) complex. The results also indicate that deprotonation of water in the pentacoordinate species facilitates the release of HCO 3 − , although, the presence of HCO 3 − in the coordination sphere of ZnII makes such deprotonation more difficult. Environmental effects have been considered in the study of HCO 3 − /H2O exchange.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01133079
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 2
    Digitale Medien
    Digitale Medien
    Ab initio study of the HCO-3/H2O exchange in the (NH3)3ZnII(HCO-3) complex (1995)
    Springer
    Theoretica chimica acta 91 (1995), S. 333-351 
    Details
    ISSN: 0040-5744
    Schlagwort(e): Key words: Carbonic anhydrase (CA) ; HCO-3/H2O exchange ; Continuum model ; Environmental effects
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Summary.  The displacement of bicarbonate anion in the (NH3)3ZnII(HCO- 3) complex with water has been studied through ab initio calculations. It has been found that H2O binds to the (NH3)3ZnII(HCO- 3) species yielding a stable pentacoordinate (NH3)3ZnII(HCO- 3)(H2O) complex. The results also indicate that deprotonation of water in the pentacoordinate species facilitates the release of HCO- 3, although, the presence of HCO- 3 in the coordination sphere of ZnII makes such deprotonation more difficult. Environmental effects have been considered in the study of HCO- 3/H2O exchange.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01133079
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
    BibTip Andere fanden auch interessant ...
    Artikel (Nationallizenzen)
    Volltext
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