用密度泛函方法和相对论有效原子实势,分别对PdCO2,PdCO和PdH的基态几何构型进行优化,得到PdCO2分子基态为Cs构型,Pd与CO2分子在同......

　　A complex,Ho(NO3)3(C2H5O2N)4?H2O,was synthesized and the thermodynamic properties of the complex were studied.Low te......

Thermodynamic property is an inherent attribute of nano materials. How to acquire nanothermodynamic functions is still a......