Quantum Modelling of Poly(vinylidene Fluoride)
نویسندگان
چکیده
منابع مشابه
Density Functional Theory calculations of the ferroelectric poly(vinylidene fluoride- chlorotrifluoroethylene) copolymer, compared to those of poly(vinylidene fluoride)
The quantum mechanics calculations of the energetics and structures corresponding to the different representatives structural conformations of poly(vinylidene fluoridetrifluoroethylene) and poly(vinylidene fluoridechlorotrifluoroethylene) copolymers show that the all-trans, Tp conformation, is energetically stabilized even with a chlorine substituent. The changes in the molecular arrangement as...
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