The variation of heat of formation and O-H bond lengths with the adsorption distance have been calculated . The results show that there are two active adsorption site on the model zeolite.
通过模拟计算确定了两个低能吸附位点及相应的吸附热，结果与实验值非常接近。
The variation of heat of formation and O-H bond lengths with the adsorption distance have been calculated . The results show that there are two active adsorption site on the model zeolite.
通过模拟计算确定了两个低能吸附位点及相应的吸附热，结果与实验值非常接近。
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