Browsing by Subject "ab initio and DFT"

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X-ray, FT-Raman, FT-IR spectra and ab initio HF, DFT calculations of 2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl methacrylate

Karabacak, Mehmet; Sahin, Ertan; Cinar, Mehmet; Erol, Ibrahim; Kurt, Mustafa (ELSEVIER SCIENCE BV, 2008)

Molecular structure of methacrylate monomer, 2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl methacrylate (IAOEMA) was determined by X-ray diffraction analysis. The molecule (IAOEMA) crystallizes in monoclinic, space group ...