Author:
Ludovice Peter J.,Jaffe Richard L.,Yoon Do Y.
Abstract
AbstractAb initio calculations were used to characterize the inter- and intramolecular energy surfaces for polyvinylchloride (PVC) model compounds and a classical force field was fit to these energy surfaces. This new force field will be used in molecular mechanics and stochastic dynamics simulations to analyze the atomic level morphology of PVC.
Publisher
Springer Science and Business Media LLC
Reference9 articles.
1. Stereochemical equilibrium and configurational statistics in oligomers of poly(vinyl chloride)
2. Chain transfer reactions in the polymerization of vinyl chloride
3. 3. Mayo S.L. , Olafson B.D. and Goddard W.A. III , J. Phys. Chem. (in press).
4. 2. GRADSCF is an ab initio gradient program system designed and written by Komornicki A. at Polyatomics Research and supported on grants through NASA.
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2 articles.
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