Neutral and Anionic Cis-Trans Isomerization of Maleonitrile and Fumaronitrile:an MS-CASPT2 Study

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  Cis-trans isomerization reactions are optimal candidates for molecular motors and molecular switches.Recently,Shachar et al purposed that by attaching a single electron,a smaller barrier path for the cis-trans isomerization between maleonitrile(cis-1,2-dicyanoethylene,MN)and fumaronitrile(trans-1,2-dicyanoethylene,FN)on the anionic surface is formed,with respect to that of neutral process1.
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