The design and forecast of the structures and properties of materials aided bycomputers can be achieved through theoretical calculation and numerical simulation bywhich waste of time and mistakes in experiments can be avoided. This field is still in theascendant.
借助计算机,通过理论计算、数值模拟对材料的结构和性质进行预测与设计,以最大限度地减少因盲目或错误实验造成的浪费,是当今材料研究领域的一个方兴未艾的领域。
参考来源 - 压力下硅、锗及其合金结构与电子性质的计算机模拟·2,447,543篇论文数据，部分数据来源于NoteExpress
环糊精特殊的结构和性质使其成为理想的模拟酶模型。
Cyclodextrins were ideal enzyme mimics models because of their special structures and characteristics.
核磁共振是一种探索、研究物质微观结构和性质的高新技术。
Nuclear magnetic resonance (NMR) is a kind of exploration, research material microstructure and properties of high and new technology.
通过多种分析手段对上述配合物的组成、结构和性质进行了表征。
Their complements, structures and properties are analyzed and characterized by means of several analysis methods.
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