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投影解析法求直链烷烃内旋转时非键原子对间距离
Calculation of the Non-Bonded Atom Pairs Distance in Straight Chain Paraffins with Analytical Projective Method
【摘要】 用旋转投影解析几何的方法,计算了链烃分子链上相邻原子上的非键原子对间的距离r(φi),及相间原子上的非键原子对间的距离r(φi,φ1+1.所得公式适用于链上不含双键的链状分子.
【Abstract】 The distance between non-bonded atom pairs have been calculated by use of analytical projective geometry method. The distance of non-bonded atom pairs attached to the adjacent molecular chain atoms, rab(φi), is given asThe distance between non-bonded atom pairs attached to the non-adjacent molecular chain atoms, ra b(φi,φi+1) is given asThe method suggested by the present author is simple but valid only for those chain molecules without double bonds.
- 【文献出处】 高等学校化学学报 ,Chemical Research In Chinese Universities , 编辑部邮箱 ,1985年03期
- 【被引频次】1
- 【下载频次】9