从头计算法
ab initio calculation
Ab initio method
ab initio
ab-initio calculation
ab inito
ab initio calculation method
密度泛函和从头算方法
DFT and ab initio method
DFT anti ab initio method
设计计算方法
Design calculating method
design calculation
Method of calculation
Design calculation method
Calculation
Design and calculation method
Cluster从头计算
ab initial calculation of cluster
从头计算
ab initio
ab initio prediction
an ab initio
Ab initio method
ab initio calculation
proton transfer
Ab initio calculations
ab initio calculatil
INITIO
menthoxyacetyl acid
ab inito method
Ab initio study
b initio
first-principle calculations
ab inito calculation
ab inito
从头计算分子轨道法
Ab initio molecular orbital
ab initio MO calculations
量子化学从头计算
Quantum chemistry ab initio calculation