Structure and Vibrational Spe

【作者】 ARSLAN Hakan DEMIRCAN Aydin

【刊名】物理化学学报

【关键词】 侧力 刃口 公理 相山 山丘 从军 拓石 侧门 人为 侧翻

【摘要】FC) were investigated by utilizing the Hartree-Fock (HF) and density functional theory (DFT) ab initio calculations with 6-31G~* and 6-31G~(**) basis sets.The optimized bond length and angle values obtained by HF method showed the best agreement with the experimental values.Comparison of the observed and calculated fundamental vibrational frequencies indicat...

【年份】2007

【期号】第11期

【所属分类】 O621.2