Browsing Fizik / Physics by Author "Yakuphanoglu, F; Atalay, Y; Erol, I;"

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Molecular structure and vibrational spectra of [2-Oxo-2-(4-acetyl) phenyl amino] ethylene methacrylate by density functional theory and ab initio Hartree-Fock calculations

Atalay, Yusuf (TAYLOR & FRANCIS LTD, 2005)

The molecular geometry and vibrational frequencies of the [2-Oxo-2-(4-acetyl) phenyl amino] ethylene methacrylate (APEMA) were examined theoretically using the Hartree-Fock and Density function method (B3LYP) with 6-31G(d) ...