Browsing Makale Koleksiyonu by Author "Avci, D; Atalay, Y; Comert, H; Dincer, M"

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DFT Calculations on the Molecular Structure, Vibrational and Chemical Shift Assignments of 4-Allyl-2-(morpholin-4-ylmethyl)-5-(pyridin-4-yl)-2, 4-Dihydro-3H-1,2,4-Triazole-3-Thione

Avcı, Davut; Atalay, Yusuf; Cömert, Hüseyin (SPRINGER HEIDELBERG, 2011)

The molecular geometry, vibrational frequencies, gauge including atomic orbital (GIAO) H-1 and C-13 chemical shift values and several thermodynamic parameters of 4-allyl-2-(morpholin-4-ylmethyl)-5-(pyridin-4-yl)-2,4-dihy ...