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Conformational analysis of the four 3-methyl-isopropylphenol isomers (thymols) by molecular orbital calculations and X-ray crystal structure determinations

✍ Scribed by G. Bertholon; A. Thozet; M. Perrin; C. Decoret


Book ID
119115550
Publisher
Elsevier Science
Year
1981
Tongue
English
Weight
528 KB
Volume
76
Category
Article
ISSN
0166-1280

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## Abstract **Summary:** The crystal structure of syndiotactic 3,4‐poly(2‐methyl‐1,3‐butadiene) has been determined by the joint use of molecular mechanics and X‐ray diffraction. Molecular mechanics calculations have been performed both on the isolated chain and on the crystal by the use of various