Browsing Makale Koleksiyonu by Author "Tarcan, E; Altindag, O; Avci, D; Atalay, Y;"

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Molecular structure and vibrational assignment of melaminium phthalate by density functional theory (DFT) and ab initio Hartree-Fock (HF) calculations

Avcı, Davut; Atalay, Yusuf (PERGAMON-ELSEVIER SCIENCE LTD, 2008)

The molecular geometry, the normal mode frequencies and corresponding vibrational assignment of melaminium phthalate (C3H7N6+center dot C8H5O4-) in the ground state were performed by HF and B3LYP levels of theory using the ...