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The Cyclization of Parent and Cyclic Hexa-1,3-dien-5-ynes—A Combined Theoretical and Experimental Study

✍ Scribed by Matthias Prall; Anke Krüger; Peter R. Schreiner; Henning Hopf


Publisher
John Wiley and Sons
Year
2001
Tongue
English
Weight
182 KB
Volume
7
Category
Article
ISSN
0947-6539

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