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- Structure and Vibrational Spe
- 作者：ARSLAN Hakan DEMIRCAN Aydin 来源：物理化学学报 年份：2007 文献类型 ：期刊文章 关键词： 侧力 刃口 公理 相山 山丘 从军 拓石 侧门 人为 侧翻
- 描述：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...