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Ab-initio calculations on copolymers of chlorinated and fluorinated polyethylenes

✍ Scribed by M.A. Abdel-Raouf; C.M. Liegener


Publisher
Elsevier Science
Year
1990
Tongue
English
Weight
200 KB
Volume
73
Category
Article
ISSN
0038-1098

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An ab initio study of the reaction of at
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In the present work, ab initio molecular orbital theory has been used to examine the reaction of atomic fluorine and chlorine with trifluoroacetaldehyde CFsC(O)H. Equilibrium geometries and transition state structures have been fully optimized at the unrestricted second-order Meller-Plesset (UMP2/6-