Sökning: "Todd Martinez"

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1. 1. Molecular Motion in Frustrated Lewis Pair Chemistry: insights from modelling

   Författare :Maoping Pu; Timofei Privalov; Todd Martinez; Stockholms universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; CO2 capture; hydrogen activation; molecular motion; ab initio molecular dynamics; frustrated Lewis pair; quantum chemical modelling; reaction mechanism; Organic Chemistry; organisk kemi;

   Sammanfattning : Mechanisms of reactions of the frustrated Lewis pairs (FLPs) with carbon dioxide (CO2) and hydrogen (H2) are studied by using quantum chemical modelling. FLPs are relatively novel chemical systems in which steric effects prevent a Lewis base (LB) from donating its electron pair to a Lewis acid (LA). LÄS MER