Ab inito calculation

 
       
  • 从头计算

Ab inito calculation的用法和样例:

例句

  1. Then, ab inito periodic calculations were performed on the three predicted crystals using the DFT-GGA-RPBE method.
    运用 DFT-GGA-RPBE 方法对三种预测所得最佳晶体进行周期性从头算。
  2. The ab inito Confirmation of "the Principle of the Smallest Bond Order"-Nitro Derivatives of Benzene and Aminobenzene[J].Chin.J.Chem.Phys., 2003,16:337.
    "最小键级原理"的从头算证实-苯和苯胺类硝基衍生物[J].
  3. Keywords Methoxy thiophosphoryl dichloride;Isomerization;Ab inito;Reaction mechanism;
    硫代膦酰二氯;异构化;从头计算;反应机理;
  4. An ab inito Study on the Conformation and Gold(I)-Gold(I) Interaction of the Isomeric H_2C[P (Ph)_2AuX]_2 and HC[P (Ph)_2AuX], (X =I, Cl)
    H_2C[P(Ph)_2AUX]_2和HC[P(Ph)_2AUX]_3(X=I,CI)型配合物的构象和Au (I)-Au(I)相互作用的从头算研究

Ab inito calculation的海词问答与网友补充:

提问补充

Ab inito calculation的相关资料:

临近单词

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