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Electronic structure and absorption spectra of the anionic σ complexes of nitrobenzenes and nitrostyrenes

✍ Scribed by K. K. Kalnin'sh; A. D. Kutsenko


Publisher
SP MAIK Nauka/Interperiodica
Year
1992
Tongue
English
Weight
736 KB
Volume
32
Category
Article
ISSN
0022-4766

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