初中物理化学总复习ppt,要全部的

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curly hair
IR spectropy can be calculated from the correlation function, velosity- velosity correlation function. and the relationship is a frourier transformation
v-v correlation is the sum of v(t)*v(t+dt) in the canonical ensemble
I(w)=F(correlation func), F for Frourier transformation
large enough layer contents involved in the simulation system explicitly
no PBC
a well-defined pathway for the process--energy favoured, reasonable mechanism, affordable compuataional expense
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