Browsing Makale Koleksiyonu by Author "Pekparlak, A; Avci, D; Comert, H; Atalay, Y;"

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Theoretical studies of molecular structure and vibrational spectra of melaminium acetate acetic acid solvate monohydrate

Avcı, Davut; Atalay, Yusuf; Cömert, Hüseyin (PERGAMON-ELSEVIER SCIENCE LTD, 2010)

The molecular geometry and vibrational frequencies of melaminium acetate acetic acid solvate monohydrate in the ground state have been calculated by using the Hartree-Fock (HF) and density functional method (B3LYP) with ...