红外光谱数据与极化方程结合计算有效电荷的方法是研究键极化性质的较好途径。
In the article we suppose that it is a better way to study bond's polarizability that the combination of infra-red spectrum data and polarizability equation calculates effective charge.
因此,把质子结合到更可极化的气体上,会释放很多能量,利于成键。 当然,这要求有小的、电负性的共配物。
Attachment of a proton to the more polarizable gases therefore gives significant energy toward bonding.
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。
Now, it has been applied to calculating atomic and molecular polarization rate, susceptibility, total energy, bond energy etc.
锂离子的静电作用和极化作用,使锰氧之间的离子键成分减小,共价键成分增加,整个尖晶石骨架结构更加稳定。
The electrovalent bond weakens and the covalent bond strengthen between manganese and oxygen due to ion polarization effect, which makes the spinel structure more stable.
膜层的非线性极化率的改变可用原子基团和价键理论解释。
Changes of the nonlinear polarizability of the molecular layers can be explained by using the theory of atom-radical and valence bond.
EVM为醇中烷基的键连接矩阵特征根之和,PEI为烷基的极化效应指数。
Where EVM is the sum of eigenvalue of bonding orbital-connection matrix of the alkyl group and PEI is the polarizibility of alkyl.
EVM为醇中烷基的键连接矩阵特征根之和,PEI为烷基的极化效应指数。
Where EVM is the sum of eigenvalue of bonding orbital-connection matrix of the alkyl group and PEI is the polarizibility of alkyl.
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