Articles with "raman dft" as a keyword



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Vibrational (FT-IR, Raman) and DFT analysis on the structure of labile drugs. The case of crystalline tebipenem and its ester

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Published in 2017 at "Journal of Molecular Structure"

DOI: 10.1016/j.molstruc.2016.12.074

Abstract: Abstract A tebipenem is active form of the first, oral carbapenem antibiotic – tebipenem pivoxyl. The optimized conformations of tebipenem pivoxyl and tebipenem were determinated by quantum-chemical calculations performed with the use of B3LYP functional… read more here.

Keywords: raman; tebipenem; raman dft; structure ... See more keywords