论述了在科学研究领域中推广自由软件的重要性,并就其中的典型代表———统计处理软件R在化学领域中的应用列举了三个实例:分子动力学数据的统计分析、物理化学实验数据处理及碳纳米管分子模型的构建,给出了详细操作步骤。除文中列举的实例外,R还可被应用于化学模式识别、图形制作等领域,是化学工作者处理实际问题的一大利器。 Discusses the importance of popularizing free software in the field of scientific research and cites three examples of the application of statistical processing software R in the field of chemistry: statistical analysis of molecular dynamics data, physicochemical experiment Data processing and the construction of molecular model of carbon nanotubes, given the detailed steps. In addition to the examples listed in the article, R can also be used in chemical pattern recognition, graphics and other fields, chemical workers a great tool to solve practical problems.