The article deals with the oil and rock mineral property according to the molecular orbit theory and the energy band theory of the solid material.
该文依据分子轨道理论和固体物质的能带理论，对石油及岩石矿物的荧光性成因进行了论述。
In order to get the stable structure of molecule, we have used the molecular orbit theory, which is introduced in second chapter we introduce this theory.
为了比较严格的得到一个分于的稳定结构，我们用到了分子轨道理论，第二谷章介绍了这一理论。
The high collecting strength and good selectivity of T-2K is explained using the theory of hard soft acid base and the theory of frontier molecular orbit.
用硬软酸碱理论和前线轨道理论解释了T -2K的高捕收能力和强选择性。
In this paper, a new approach to judge molecular configuration of complex for transition elements by VSEPR theory is put forward on the basis of molecular orbit theory.
在分子轨道理论的基础上，提出一种应用VSEPR理论判断过渡元素配合物分子构型的方法，并对其在八面体场、四面体场中的应用进行了详细的探讨。
Expressions of several kinds of molecular orbit and energy level are derived. And the results obtained here are in agreement with those obtained with other methods reported in literature concerned.
推导了数种分子的轨道和能级表达式，所得结果与文献报道的其他方法的结果一致。
Using molecular closed orbit theory and the region splitting and consistent iterative method, we firstly compute the recurrence spectra of NO molecule in strong magnetic field theoretically.
利用分子的闭合轨道理论和分区自洽的迭代方法，首次从理论上计算了NO分子在强磁场中的回归谱。
It is shown selecting suitable parameters of molecular shield on low-earth orbit, we can process super pure materials in extreme high vacuum.
计算结果指出：在近地轨道选择合适的分子屏参数，可以在极高真空环境下加工超纯材料。
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。
A new extreme high vacuum molecular shield lab. On low-earth orbit is designed.
给出了一种新型的近地轨道极高真空分子屏实验室设计。
A new extreme high vacuum molecular shield lab. On low-earth orbit is designed.
给出了一种新型的近地轨道极高真空分子屏实验室设计。
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