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分子力学(Molecular mechanics)方法是结构化学的理论研究方法之一。该方法对有机化合物的结构计算、生成热计算及构型研究已被许多实验证明是极为成功的。然而分子力学在高分子方面的应用尚不多见,其原因不仅由于高分子的原子数目众多而已有的程序所
Molecular mechanics is one of the theoretical methods of structural chemistry. This method has been proved to be extremely successful by many experiments on the structural calculation of organic compounds, the calculation of heat generation and the study of the configuration. However, the application of molecular mechanics in polymer is still rare, the reason not only because of the large number of polymer atoms and the existing procedures