The first hyperpolarizability and molecular frontier orbit properties of barbituric acid derivatives are studied at HF/6-31G level by coupled perturbed Hartree-Fock(CPHF) method.
采用耦合微扰(CPHF)方法在HF/6-31G水平上对巴比妥酸衍生物的第一超极化率和分子前线轨道性质进行了计算。
Finally, the two level differential corrections method was proposed to transform the orbit designed under the circular restricted three-body problem model into the perturbed three-body problem model.
最后使用两层微分修正方法将圆型限制性三体问题模型下设计的轨道转换到受摄三体问题模型下。
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