理论优化表明，三个吡啶甲酸分子都具有平面的平衡构型。
Theoretical optimizations show that the equilibrium geometries of the three picolinic acid molecules are planar.
二套基组的理论优化表明，三个吡啶甲酸分子都具有平面的平衡构型。
Theoretical optimizations with both basis sets show that the equilibrium geometries of the three picolinic acid molecules are completely planar.
本文介绍了实现几何构型的一个行之有效的方法——有向平面法。
This paper describes the method of the directional plane, an effective method to realize the geometrical construction.
分析和探讨了设计中的平面布置、码头结构型式及环境问题。
The plane layout, wharf structural type and environment problems are analyzed and studied.
提出了一种关于自由度平面闭链机构的构型方法，即“平面图形构造方法”。
This paper puts forward a kind of method about type synthesis of the one dof planar closed chains mechanisms, that is , "type synthesis by planar graph".
结果表明，在不同基组水平上，由MP2，QCISD，B3LYP方法均能得到草酰碘分子的交叉式构型和平面反式构型，与实验所得草酰卤化物的构型完全相符。
The result shows that MP2, QCISD, B3LYP can gain the gauche and anti conformers of oxalyl iodide, which is in good agreement with configuration of oxalyl halides in experiment.
闸门根据结构型式可分为平面闸门、弧形闸门、人字闸门等。
The gate can be divided into plane gate, arc gate and miter gate according to the types of structure.
提出一种以从平面体三面投影中“提取”顶点、棱线和棱面三维信息为基础，得出平面体“构型”的计算方法。
Based on the 3d data of vertex, edges and planes, which are obtained from the tri Angle projection of a plane body, the calculation method of the plane body formation is hence worked out.
提出一种新型的平面三自由度并联机床，分析了该机床的两类构型奇异问题。
In this paper, a novel planar three degrees of freedom parallel machine tool is proposed. Closed-form solutions are developed for the inverse kinematics.
而在四面体构型中，两对取代基在互为正交的两个平面中，位阻小得多。
In an octahedral configuration of the extracts, the substituting groups from the two coor …
而在四面体构型中，两对取代基在互为正交的两个平面中，位阻小得多。
In an octahedral configuration of the extracts, the substituting groups from the two coor …
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