Density-function相关论文
Influence of conformational change of chain unit on the intrinsic negative thermal expansion of poly
Negative thermal expansion (NTE) behavior has roused wide interest for the control of thermomechan-ical properties of fu......
为分析煤中有机硫结构对微波的响应规律,采用密度泛函理论研究了煤中典型含硫模型化合物含硫键在不同外加能量场作用下的变化规律......