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DFT Modelling of Molecular Structure, Vibrational and UV-Vis Absorption Spectra of T-2 Toxin and

Dmitrii Pankin1, Mikhail Smirnov2, Anastasia Povolotckaia1

  • 1Center for Optical and Laser Materials Research, St. Petersburg State University, Ulianovskaya 5, 198504 St. Petersburg, Russia.

Materials (Basel, Switzerland)
|January 21, 2022
PubMed

Keywords:
3-deacetylcalonectrinDFT calculationsMid IR absorbanceT-2UV-Vis absorbancetoxinvibrational modes

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