Mg2Ni合金及其氢化物的电子结构及成键特性的 关键字: Mg2Ni; Mg2NiH4; 电子结构; 成键特性[gap=900]Key words: Mg2Ni; Mg2NiH4; electronic structures; bond characteristics
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the electronic structures 电子结构
their electronic structures 电子结构
valence electronic structures 价电子结构
surface electronic structures 表面电子结构
electronic structures and bond 电子结构与成键
atomic and electronic structures 原子和电子结构
electronic structures and bonding 电子结构与成键
The development of density functional theory（DFT） has opened a wide realm for the studies of electronic structures,and provided a pivotal scheme.
密度泛函理论的发展就为物质电子结构性质的理论研究打开了一个广阔的天地,提供了关键的方法步骤。
参考来源 - 纳米结构W及TM掺杂的DMS的结构与磁性·2,447,543篇论文数据，部分数据来源于NoteExpress
We have calculated the electronic structures and spectra of Ni tetraphenylporphyrin using an INDO/CI method.
本文用INDO/CI方法计算了中位取代四苯基镍卟啉的电子结构与光谱。
In the paper the electronic structures of the template molecules are discussed through quantum chemistry calculation.
同时采用量子化学的方法对活性构象模板分子电子结构作了讨论。
Based on the frontier orbital characters and charge distributions the electronic structures of these compounds are discussed.
从前线轨道特征、电荷分布等与自由卟啉对比讨论了杂原子取代卟啉的电子结构。
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