Browsing Fizik / Physics by Author "Atalay, Y; Yakuphanoglu, F; Sekerci, M;"

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The molecular structure and vibrational spectra of 1-amino-5-benzoyl-4-phenylpyrimidin-2(1H) by Hartree-Fock and density functional methods

Atalay, Yusuf (PERGAMON-ELSEVIER SCIENCE LTD, 2006)

The molecular structure and vibrational spectra of 1-amino-5-benzoyl-4-phenylpyrimidin-2(1H) (C17H13N3O2) have been investigated by Hartree-Fock and density functional method using standard B3LYP with 6-31G(d) basis set. ...