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

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Molecular structure and vibrational and chemical shift assignments of 5-(2-Hydroxyphenyl)-4-(p-tolyl)-2,4-dihydro-1,2,4-triazole-3-thione by DFT and ab initio HF calculations

Avcı, Davut; Atalay, Yusuf (SPRINGER, 2008)

The molecular geometry, vibrational frequencies, gauge including atomic orbital (GIAO) (1)H and (13)C chemical shift values and several thermodynamic parameters of 5-(2-Hydroxyphenyl)-4-(p-tolyl)-2,4-dihydro-1,2,4-triazo ...