钌多吡啶配合物为基元的DNA结合机理及DNA光断裂剂的研究论文目录 3.1光谱学方法 1.3.2 X-射线衍射法和核磁共振谱法 1.3.3流体力学方法 1.3.4密度泛函理论计算(Density functionaltheory，DFT) 1.5 Ru(Ⅱ)多吡啶配合物与DNA作用存在的异议 1.5.1[Ru(phen)3]2+与D
基于4个网页-相关网页
...3.1光谱学方法 1.3.2 X-射线衍射法和核磁共振谱法 1.3.3流体力学方法 1.3.4密度泛函理论计算(Density functionaltheory，DFT) 1.5 Ru(Ⅱ)多吡啶配合物与DNA作用存在的异议 1.5.1[Ru(phen)3]2+与D...
基于2个网页-相关网页
然而，在对待不同相的水使用密度泛函理论计算分析时，精确性依然不够好。
However, the accuracy of DFT for treating water in all its various phases and at surfaces is still not as good as we would like.
用密度泛函理论计算了氧分子物理吸附在半导体型单壁碳纳米管的束缚能，能带结构和吸收光谱。
The binding energy, energy band structure and optical properties of the oxygen physical adsorption on semiconducting single-wall carbon nanotube are studied by the density functional theory.
利用第一原理密度泛函理论计算组装C60形成能和电子结构，用半经典隧穿理论研究了串联C60的电子输运特性。
The formation energy and electronic structures of the series-connected C60 molecule are calculated by the ab initio density–functional theory.
应用推荐