18593-33-4Relevant articles and documents
Dynamic behaviour of carbocations on zeolites: Mobility and rearrangement of the C4H7+ system
Kling, Diego P.,Machado, Erick S.A.,Chagas, Henrique C.,Dos Santos, Alex P.A.,Rosenbach, Nilton,Walkimar Carneiro, Jose,Mota, Claudio J.A.
, p. 4480 - 4482 (2013/06/04)
The mobility and rearrangement of the C4H7 + system over Chabazite were studied using ab initio molecular dynamics. The results indicated the high mobility of the cations, which can rearrange within picosecond time interva