Browsing Matematik / Mathematics by Author "Tamer, Ömer"

Now showing items 1-1 of 1

Theoretical analysis on structural, spectroscopic, and electronic properties of some 2-aminobenzimidazole complexes by using PBE1PBE, B3LYP, and HF methods

Tamer, Ömer; Gözükızıl, Ömer Faruk; Avcı, Davut; Atalay, Yusuf (PLEIADES PUBLISHING INC, 2014)

The molecular geometry, vibrational frequencies, gauge including atomic orbital (GIAO) H-1 and C-13 chemical shift values of ABZ-TNB [ABZ-TNB: 2-aminobenzimidazole-trinitrobenzene] and ABZ-PA [ABZ-PA: 2-aminobenzimidazole-picric ...