论文部分内容阅读
氧化物或其晶体好似一个巨型分子,要用分子轨道法进行精确计算还有困难。目前仅对所取有限部分的模型进行计算。从计算结果来讨论固体表面产生酸碱性机理。该处理法
Oxide or its crystals resemble a giant molecule, and it is difficult to calculate accurately using molecular orbital methods. Currently, only a limited part of the model is calculated. From the calculation results to discuss the solid surface acid-base mechanism. The treatment method