Author/Authors :
Ottonelli، نويسنده , , M and Moggio، نويسنده , , I and Musso، نويسنده , , G.F. and Comoretto، نويسنده , , D and Cuniberti، نويسنده , , C and Dellepiane، نويسنده , , G، نويسنده ,
Abstract :
We have performed theoretical calculations on the singly and doubly charged species of the lowest unsubstituted oligodiacetylenes, with the scope of achieving information on the charged photoexcitations of polydiacetylenes. On the basis of the AM1-optimiz
Keywords :
Polydiacetylenes , quantum chemical calculations , Polarons , Bipolarons
