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1)  bond angles and bond length
键角与键长
2)  bond lengths
键长键角
3)  hydrogen-bond length
氢键键长
1.
Several parameters,such as the C-O bond length and the natural atomic charge on hydrogen atom of car- boxylic group,the hydrogen-bond length and binding energy of hydrogen-bonded complexes,are linearly correlated with known experi- mental pKa values of carboxylic acids.
羧基C-O键长、羧基氢自然键轨道电荷以及复合物的氢键键长和结合能等参数,与羧酸pKa实验值具有良好的线性关系。
4)  Bond angle
键角
1.
For an apropo interpretation of structural formula of dimers in Ⅲ A family,the hybridization of atoms in Ⅲ A family is illustrated in this paper as a two-equivalence hybridization (two SP2 hybrid orbits and two SP5 hybrid orbits),the bond angles and bond lengths Calculated from which are approching experimental measurements.
由此,计算出的键角,键长更接近于实验测定值。
5)  Bond Angles
键角
6)  bond length
键长
1.
Calculations of bond dissociation energies and bond lengths of C-H,C-N,C-O,N-N;
C-H,C-N,C-O,N-N的键离解能和键长的计算
2.
An analystic computional method on the bond length and dissociation energy of H_2~+ ion;
氢分子离子H_2~+键长和离解能的一种解析计算法
3.
In this paper an equation is given by using relating electronnegativity,the valence electronic number and prin- cipal quantum number,in order to find an easy formula to calculate the bond length of two coupled-atoms diatomic chlo- ride molecule.
试用元素电负性、原子价电子数和主量子数为参数建立一个简便公式,用以计算异核双原子氯化物分子键长。
补充资料:键角
分子式:
CAS号:

性质:分子内两个键之间的夹角。键角是表示分子几何结构的重要参数之一。键角与分子的对称性有关,如CH4为正四面体构型,其中两个C-H键间的夹角均为109°28′。而在H2O中,两个O-H键间的夹角为105°。键角可通过分子光谱和衍射等实验方法测定,也可以用量子力学方法近似计算而得到。

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