Allen and co-worker did ab initio calculation to test the adequacy of SCF MO calculations for predicting molecularequilibrium geometries.
爱伦及其同事应用从头计算法来考查SCF MO计算对于预示分子平衡几何形的 适宜性 。
2
The computative results show that the mass of core obtained according to the virial equilibrium of the dark molecular cloud is larger than one according to the LTE.
The calculations show that equilibrium distribution of the molecules in the source of molecular ray is not influenced as only a few molecules effuse from an enough small hole.