Conformational Characteristics of the Polycarbonate 4,4'- Isopropylidenediphenol
Interim technical rept. no. 29, 1990-1991,
MASSACHUSETTS INST OF TECH CAMBRIDGE
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A classical force field has been developed to represent the conformational characteristics of the polycarbonate of 4,4- isopropylidenediphenol bisphenol-A polycarbonate, PC based upon recent experimental and quantum mechanical data reported for diphenylcarbonate and diphenylpropane. This force field is an improvement upon previously published molecular mechanics force fields because it allows for rotation about all the single bonds in the PC repeat unit. A rotational isomeric state model PC has been obtained using the force field results the computer unperturbed chain dimensions agree well with reported experimental values.