About: Metal-Mediated Reaction Modeled on Nature: The Activation of Isothiocyanates Initiated by Zinc Thiolate Complexes     Goto   Sponge   NotDistinct   Permalink

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  • On the basis of detailed theoretical studies of the mode of action of carbonic anhydrase (CA) and models resembling only its reactive core, a complete computational pathway analysis of the reaction between several isothiocyanates and methyl mercaptan activated by a thiolate-bearing model complex [Zn(NH3)3SMe]+ was performed at a high level of density functional theory (DFT). This work gives new insight into the mode of action and reaction path variants derived from the CA principles.
  • On the basis of detailed theoretical studies of the mode of action of carbonic anhydrase (CA) and models resembling only its reactive core, a complete computational pathway analysis of the reaction between several isothiocyanates and methyl mercaptan activated by a thiolate-bearing model complex [Zn(NH3)3SMe]+ was performed at a high level of density functional theory (DFT). This work gives new insight into the mode of action and reaction path variants derived from the CA principles. (en)
Title
  • Metal-Mediated Reaction Modeled on Nature: The Activation of Isothiocyanates Initiated by Zinc Thiolate Complexes
  • Metal-Mediated Reaction Modeled on Nature: The Activation of Isothiocyanates Initiated by Zinc Thiolate Complexes (en)
skos:prefLabel
  • Metal-Mediated Reaction Modeled on Nature: The Activation of Isothiocyanates Initiated by Zinc Thiolate Complexes
  • Metal-Mediated Reaction Modeled on Nature: The Activation of Isothiocyanates Initiated by Zinc Thiolate Complexes (en)
skos:notation
  • RIV/61388963:_____/11:00369293!RIV12-AV0-61388963
http://linked.open...avai/predkladatel
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • Z(AV0Z40550506)
http://linked.open...iv/cisloPeriodika
  • 8
http://linked.open...vai/riv/dodaniDat
http://linked.open...aciTvurceVysledku
  • Jahn, Burkhard O.
http://linked.open.../riv/druhVysledku
http://linked.open...iv/duvernostUdaju
http://linked.open...titaPredkladatele
http://linked.open...dnocenehoVysledku
  • 211718
http://linked.open...ai/riv/idVysledku
  • RIV/61388963:_____/11:00369293
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • density-functional calculations; human carbonic-anhydrase; gaussian-basis sets; azamacrocyclic ligands (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • US - Spojené státy americké
http://linked.open...ontrolniKodProRIV
  • [039C41E77631]
http://linked.open...i/riv/nazevZdroje
  • Inorganic Chemistry
http://linked.open...in/vavai/riv/obor
http://linked.open...ichTvurcuVysledku
http://linked.open...cetTvurcuVysledku
http://linked.open...UplatneniVysledku
http://linked.open...v/svazekPeriodika
  • 50
http://linked.open...iv/tvurceVysledku
  • Schmitt, M.
  • Anders, E.
  • Eger, W. A.
  • Jahn, Burkhard O.
  • Popp, J.
  • Presselt, M.
http://linked.open...ain/vavai/riv/wos
  • 000290457700011
http://linked.open...n/vavai/riv/zamer
issn
  • 0020-1669
number of pages
http://bibframe.org/vocab/doi
  • 10.1021/ic101464j
is http://linked.open...avai/riv/vysledek of
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