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Quantum-chemical study of the spectral properties of stilbene isomers

✍ Scribed by O. V. Dolgova; N. Yu. Vasil’eva; I. V. Sokolova


Book ID
110131887
Publisher
SP MAIK Nauka/Interperiodica
Year
2002
Tongue
English
Weight
101 KB
Volume
93
Category
Article
ISSN
0030-400X

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