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Quantum chemical study of the effect of complexation on the acetonitrile→amindine transformation

✍ Scribed by N. S. Panina; Yu. N. Kukushkin


Book ID
110572496
Publisher
SP MAIK Nauka/Interperiodica
Year
1996
Tongue
English
Weight
315 KB
Volume
37
Category
Article
ISSN
0022-4766

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