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作者:Medetalibeyoğlu H , Özdemir G , Yüksek H
来源:[J].Der Pharma Chemica, 2018, Vol.10 (8), pp.157-169学者研究图书馆
摘要:1H-1,2,4-triazole has been theoretically studied. All theoretical calculations have been carried out by using Density Functional Theory (DFT) and Hartree-Fock (HF) methods. The vibrational frequencies were calculated by using HF/6-31G(d,p) and DFT(B3LYP)/6-31G(d,p) basis set...

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