Browsing Makale Koleksiyonu by Author "Atalay, Y; Basoglu, A; Avci, D;"

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Molecular structure, IR and NMR spectra of 2,6 distyrylpyridine by density functional theory and ab initio Hartree-Fock calculations

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

Vibrational frequencies and gauge including atomic orbital (GIAO) C-13 NMR and H-1 NMR chemical shift values of 2,6 distyrylpyridine (C21H17N) in the ground state have been calculated by using the Hartree-Fock (HF) and ...