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Conformational transitions in polycyclic molecules C_(13)H_9 and C_(14)H_(10)

机译:多环分子C_(13)H_9和C_(14)H_(10)的构象转变

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In this contribution we report on a study of structure changes of polycyclic molecules C_(13)H_9 and C_(14)H_(10)in the temperature range from 100 to 1400 K. We have used a new molecular dynamics with charges at bonds and have studied time dependence of interatomic distances at these temperatures. It was fount that the interatomic distances can serve as a criterion for conformation transitions between different conformations. Explanation is based on the theory of stability and the theory of parametric resonance.
机译:在这一贡献中,我们报告了在100至1400 K的温度范围内多环分子C_(13)H_9和C_(14)H_(10)的结构变化的研究。已经研究了在这些温度下原子间距离的时间依赖性。原子间距离可以用作不同构象之间构象转变的标准。解释基于稳定性理论和参数共振理论。

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