The method was applied to the calculation of the ring bond angles of furan, pyrrole, and coumarin. The...
用该法计算了呋喃、吡咯和香豆素的环内键角，计算结果与实验值很接近。
The method was applied to the calculation of the ring bond angles of furan, pyrrole, and coumarin. The calculated results...
用该法计算了呋喃、吡咯和香豆素的环内键角，计算结果与实验值很接近。
The method was applied to the calculation of the ring bond angles of furan, pyrrole, and coumarin. The calculated results are in good agreement with the experimental data.
用该法计算了呋喃、吡咯和香豆素的环内键角，计算结果与实验值很接近。
Obvious changes of atomic natural charge happened to atoms C(1), H(11), O(28), O(29) and N(27). The bond lengths and bond angles related to these atoms were also varied greatly.
参与新键形成和旧键断裂原子C（1），H（11），O（28），O（29）和N（27）的原子自然电荷及与其相关的键长、键角有明显的变化。
A new criterion to decide whether the carboxy group coordinating to the metallic ion in mono or bi dentate-fashion in an ambiguous situation, base on coordination bond distances and angles.
通过上述晶体结构中配位键长键角的分析，得到了一个行之有效的标准，判断羧基与中心金属离子是单齿配位还是螯合配位。
Comaring with the neutral states, the bond lengths and the inter ring twist angles of the charged states are changed obviously.
与中性态相比，带电态下其分子结构表现在C - C键的键长及环与环间的扭转角发生显著的改变。
In the paper, synthesis and development of the compounds are summarized respectively from three main angles including synthesis of central bond, skeleton and substitute group.
文中就目前已报道的化合物，从中心桥键、端基及中心骨架构成的角度对该类液晶的合成进行了综合论述。
All of bond lengths and angles are with in the range of normally accepted values.
所有非氢原子间的键长和键角均在实验误差范围内接近理论值。
The increase of the reduced masses as well as the decrease of the bond-angles will ital to the increase of the irregular(chaotic) extents of responding eigenvalue-sp…
计算结果表明，折合质量的增大，键角的减小等分子结构特征，都将导致能谱结构混沌化程度的增高。
The increase of the reduced masses as well as the decrease of the bond-angles will ital to the increase of the irregular(chaotic) extents of responding eigenvalue-sp…
计算结果表明，折合质量的增大，键角的减小等分子结构特征，都将导致能谱结构混沌化程度的增高。
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