Now, it has been applied to calculating atomic and molecular polarization rate, susceptibility, total energy, bond energy etc.
目前已被广泛用来计算原子和分子的极化率、磁化率、总能量、键能等。
Metal manufacturing technology is a process contains multiscale coupling phenomenon where fracture of atomic bond in the microscopic area will lead to the material removal in the macroscopic area.
金属切削工艺是一种隐含着微观和宏观之间耦合作用的过程，微观局部原子间化学键的断裂将会最终导致材料的宏观去除。
The variation of electronic structure leads to the increase of single bond radius and atomic volume and other changes of physical properties.
电子结构的转变是导致原子单键半径增大和体积增加及其他物理性质发生改变的根本原因。
Obvious changes of atomic natural charge happened to atoms C(1), H(11), O(28), O(29) and N(27). The bond lengths and bond angles related to these atoms were also varied greatly.
参与新键形成和旧键断裂原子C（1），H（11），O（28），O（29）和N（27）的原子自然电荷及与其相关的键长、键角有明显的变化。
Obvious changes of atomic natural charge happened to atoms C(1), H(11), O(28), O(29) and N(27). The bond lengths and bond angles related to these atoms were also varied greatly.
参与新键形成和旧键断裂原子C（1），H（11），O（28），O（29）和N（27）的原子自然电荷及与其相关的键长、键角有明显的变化。
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