| 1. | Let us now look at the ionization potentials for the next few atoms .
现在再来看一下后来少数几种原子的电离电势值。 |
| 2. | Potentional energy function and vertical ionization potential of se2x x
分子离子的势能函数与垂直电离势 |
| 3. | Potentional energy function and vertical ionization potential of bbrn n
溴化硼分子及离子的势能函数与垂直电离势 |
| 4. | 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 |
| 5. | Ab initio study on potential energy function and vertical ionization potential for puc molecule
分子的结构与垂直电离势的理论计算 |
| 6. | Ab initio study on potential energy function and vertical ionization potential for puh molecule
分子的势能函数与垂直电离势的理论计算 |
| 7. | Ab initio study on potential energy function and vertical ionization potential for puo molecule
分子势能函数与垂直电离势的量子化学计算 |
| 8. | Potentional energy function and vertical ionization potential of boron chloride molecule and molecular ions
氯化硼分子及离子的势能函数与垂直电离势 |
| 9. | The boundary radius of an atom ( ion ) is defined by the classical turning point equation ( ( r ) = - i , where i denotes the first ionization potential of the atom ( ion ) . the boundary radii of atoms and ions of elements from first - to fifth - row in the periodic table are obtained
对于中性原子，假设此时的能量等于其第一电离能i的负值，即v （ r ） = - i 。我们定义原子核到r的距离为原子的内禀边界半径，简称为边界半径。 |
| 10. | Possible geometrical structures and relative stability of semiconductor microclusters ganpn ( n = 1 - 5 ) are studied by using density functional calculations with generalized gradient approximation ( b3lyp ) . for the most stable isomers of ganpn ( n = 1 - 4 ) clusters , the electronic structures , vibrational properties , dipole moments , polarizability and ionization potential are analyzed using hf , mp2 , cisd and b3lyp methods with different basis sets
用梯度修正的密度泛函方法( b3lyp 6 - 31g )优化了ga _ np _ n ( n = 1 - 5 )团簇的可能几何构型，计算了各稳定构型的的振动光谱，并用不同方法( hf 、 mp2 、 cisd等)研究了各稳定构型的电子结构、电离势、偶极矩和极化率等性质。 |
