TY - JOUR ID - TI - Conformational behavior of tetrafluorohydrazine inside C60 fullerene AU - Radwan A. Alnajjar رضوان النجار PY - 2018 VL - 18 IS - 1 SP - 37 EP - 42 JO - Iraqi National Journal Of Chemistry المجلة العراقية الوطنية لعلوم الكيمياء SN - 22236686 AB - The conformational behavior of tetrafluorohydrazine was studied inside C60 fullerene using density functional theory with PBE_3ζ basis set, a notable change in bond length, bond angle, and the dihedral angle was detected, the required energy for rotation about F-N-N-F also changed. The molecular parameter and rotation energy for all conformers were calculated, reported and investigated.

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