The complete force fields of the cis and trans isomers are determined by the method of determining force field combining model potential function method with MNDO method.
将模型势函法和MNDO方法结合起来,得到了顺、反甲酸分子的完整力场。
A method of calculating force field of polyatomic molecule with model potential function is presented.
本文提出了一套用模型势函计算多原子分子力场的方法。
应用推荐