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- 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。
- Each atom would have a very small net charge. 每一个原子都会有一个很小的净电荷。
- Keywords Glycine;Extended Huckel Theory （EHT）;Atomic net charge;Biological activity; 甘氨酸;扩展的休克尔理论;原子净电荷;生物活性;
- atomic net charge 原子净电荷
- The average net charge of glycine is zero. 甘氨酸静电荷为零
- A sol considered as a whole cannot have a net charge. 一种胶体，就其整体而言可认为不带净电荷。
- What is the net charge of the molecule at pH 3, 8, and 11? 其在pH3,8,和11下的净电荷是多少?
- Within the remainder of the dielectric the net charge per unit volume remains zero. 在电介质的其余部分，单位体积的静电荷仍为零。
- If a molecule of net charge q is placed in an electric field, a force F is exerted upon it. 若将带静电荷q的分子放入电场，则有一个力F作用于其上。
- Five factorswere chosen as main influence factors: heat of formation, net charge of metal centeratom, HOMO and LUMO. 并以铁卟啉类化合物的生成热、中心金属电荷、最高占据轨道HOMO和最低非占据轨道LUMO能量为主要参数进行讨论。
- The net charge of a body might be described by a statement of the excess number of electrons or protons in the body. 一个物体所带净电荷的量,可以用在这个物体内的过剩电子数或过剩质子数来表示。
- Each amino acid has its own characteristic isoelectric point, where the net charge on the molecule is zero. 每个氨基酸都有自己的等电点，等电点的条件是净电荷为零。
- At pH 5.97 the group has no net charge and will not migrate in an electrical field. Here at the isoelectric point, buffering is minimal. 在pH值为5.;97时;基团不带电;并且不能在电场中迁移。这是它的等电点;缓冲能力达到最小值。
- Draw the structure of histidine in each ionization state. What is the net charge on the histidine molecule in each ionization state? 画出组氨酸的每种解离结构。每种解离状态下的净电荷是多少?
- Moreover, the energy Ievel of HOMO, net charge and orbital electron density of O(24) , net charge of O(26) , clog P and cMR have important effect on the fungicidal activity. 此外,化合物的HOMO能级、0(24)的原子净电荷及轨道电子密度、0(26)的原子净电荷、clog P及cMR等均对生物活性产生重要影响。
- The simulated results indicate that the configurations of polyampholyte chain are effected by the external field, net charge of polyampholyte and temperature. 结果表明，聚离子链的构型取决于外电场对链节的作用、链内各链节间的静电作用和链节的热运动（温度）三者的综合作用结果。
- 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。
