平面型结构 planarized structure
The calculation indicates that all the title compounds have planar structures and exhibit strong intramolecular hydrogen bond, which has a visible influence on the configuration and properties of molecules.
几何全优化的结果表明,标题物均为平面构型,分子内氢键对几何构型和电子结构影响很大。
参考来源 - 蒽醌及其衍生物的理论化学研究·2,447,543篇论文数据，部分数据来源于NoteExpress
结果表明，标题物的四唑环近似为平面构型；
The results show that the tetrazole ring is approximately planar.
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.
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