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- Keywords density functional theory;fragment energy;nature population;Mulliken atomic net population;and（overlap） population; 密度泛函;稳定结构;基态;分裂能;布居;
- Mulliken atomic net population 分裂能
- Optimized structure , atomic net charge , adsorption energy and frontier orbital energy of C 3H 6/ C 3H 8 and AgCl / CuCl are calculated by ZINDO/1 and ab initio/STO-6G*. 用ZINDO/ 1和abinitio/STO -6G 方法 ,对C3H6 、C3H8与AgCl、CuCl间的吸附态优化构型、原子净电荷、吸附能、前沿轨道能量作了计算。
- The atom bomb is of catholic concern. 原子弹受到普遍的关注。
- That cannot get up an atom of sympathy for them. 那并不能激发起人们对他们的丝毫同情。
- The ship was sunk by an atomic submarine. 这艘船是被一艘核潜艇击沉的。
- Scientists have unlocked the secret of the atom. 科学家已经揭开了原子的秘密。
- He hit the tennis ball over the net. 他把网球打过了网。
- The ball glanced off the goal post into the net. 球撞到球门柱上斜飞入网。
- The net weight of this jar of coffee is 180 grams. 这瓶咖啡净重180克。
- Our first atomic reactor was built in1958. 我们第一个原子反应堆建于1958年。
- An atomic bomb can annihilate a city. 一枚原子弹能毁灭一个城市。
- The reactor was built for tame atomic energy use. 这座反应堆是为原子能的安全使用而建造的。
- If I lose my job, I've got no safety net. 我丢掉这份工作就无计可施了。
- The fish tangled in the mesh of the net has died. 那条卡在网眼上的鱼已经死了。
- Practise throwing the ball into the net. 练习投篮。
- The particles in an atom are infinitely small. 原子里的粒子极小。
- Her speech argued the case against atomic weapons very effectively. 她的发言就反对原子武器问题进行了十分有力的论证。
- She just tipped the ball over the net. 她刚好把球击过网。
- An atomic or a nuclear bomb. Used with the. 原子弹原子弹或核弹。与the连用
