Browsing by Author "Y. Atalay"

Now showing items 1-2 of 2

Molecular Structure and Vibrational and Chemical Shift Assignments of 2α,8-Dihydroxy-1β-Methoxy-P-Menthane By Dft And Ab Initio Hf Calculations

C. Uyanık; K. Esmer; D. Avcı; E. Tarcan; T. Çelik; Y. Atalay (Sakarya Üniversitesi Fen Edebiyat Fakültesi, 2008)

The molecular geometry, vibrational frequencies, gauge including atomic orbital (GIAO) 1H and 13C chemical shift values and several thermodynamic parameters of 2α,8-Dihydroxy-1β-methoxy-p-menthane in the ground state were ...
Theoretical studies on molecular structure and vibrational spectra of 8-hydroxyquinolinium picrate (vol 79, pg 1425, 2011)

A. Basoglu; Avcı, Davut; Y. Atalay; F. Celik; T. Sahinbas (PERGAMON-ELSEVIER SCIENCE LTD, 2019)

The authors regret to inform that the oxygen atom in 8-hydroxyquinolinium was forgotten during the initial calculations and then these calculations were repeated according to the correct molecular structure. But in the ...