FT-IR and FT-Raman characterization and investigation of reactive properties of N-(3-iodo-4-methylphenyl)pyrazine-2-carboxamide by molecular dynamics simulations and DFT calculations

Ranjith, PK; Al-Abdullah, ES; Al-Omary, FAM; El-Emam, AA; Anto, PL; Sheena, MY; Armakovic, S; Armakovic, SJ; Zitko, J; Dolezal, M; Van Alsenoy, C

Sheena, MY (reprint author), Fatima Mata Natl Coll, Dept Phys, Kollam, India.

JOURNAL OF MOLECULAR STRUCTURE, 2017; 1136 ( ): 14

Abstract

The FT-IR and FT-Raman spectra of N-(3-iodo-4-methylphenyl)pyrazine-2-carboxamide were recorded and the experimentally observed wavenumbers are compar......

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