Understanding field variation, quantum chemical modeling and molecular orbital analyses of trans-3-(trans-4-imidazolyl) acrylic acid
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DOI: 10.1016/j.molstruc.2016.10.085
Abstract: Abstract In this work, a joint experimental (FTIR and FT-Raman) and theoretical (DFT and ab-initio ) study on the structure and the vibrations of Trans-3-(trans-4-imidazolyl) acrylic acid (TTIAA) are compared and analyzed. The assignment of… read more here.
Keywords: trans trans; imidazolyl acrylic; variation; field ... See more keywords