| 1. | Allen and co-worker did ab initio calculation to test the adequacy of scf mo calculations for predicting molecular equilibrium geometries .
爱伦及其同事应用从头计算法来考查SCFMO计算对于预示分子平衡几何形的适宜性。 |
| 2. | An ab initio potential energy surface of he - li2 complex
2体系势能面的从头计算研究 |
| 3. | Ab initio study on conformation of salicylidene - glycine schiff base
碱的从头算构象研究 |
| 4. | Ab initio calculations of the benzene and the benzene derivate
苯及其衍生物的从头计算研究 |
| 5. | Our results indicate that ab initio
由此我们得到如下结论： 1 |
| 6. | Ab initio calculations of the cyclohexane diamine - tetracetic acid
环己二胺四乙酸分子的从头算研究 |
| 7. | Using new initio inic - 1403l isd - 300a1 nec 1394 bridge chipsets
外接盒系列采用全新oxfw - 922晶片组， |
| 8. | Ab initio theory studies on electronic structures of a new complex of 2 ge
络合物电子结构的从头算理论研究 |
| 9. | Ab initio study of structures for li2o , li2s , na2o , na2s molecules
碱金属氧化物和硫化物分子结构的从头算研究 |
| 10. | Ab initio study on molecular structure and vertical ionization potential for pun
分子的结构与垂直电离势的理论计算 |
