The paper proposes a method for high-precision calculations of the fullerene dynamics in a cylindrical carbon nanocontainer. The method has no restrictions on nutation angles since it does not involve calculating Euler angles. In this case, the position of the body in space is determined by the coordinates of its three points do not lie on one straight line. The results of numerical calculations are compared with the exact analytical solution on the rotation of the molecular structure by inertia around its center of mass. The accuracy of calculations is controlled by maintaining the balance of total mechanical energy in the system.

中文翻译：

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C100 富勒烯在封闭碳纳米容器中的运动

该论文提出了一种高精度计算圆柱形碳纳米容器中富勒烯动力学的方法。该方法对章动角没有限制，因为它不涉及计算欧拉角。在这种情况下，物体在空间中的位置由其三点坐标确定，不在一条直线上。将数值计算的结果与分子结构绕其质心惯性旋转的精确解析解进行了比较。通过维持系统中总机械能的平衡来控制计算的准确性。