摘要
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。
The importance of spreading free software in academic area is stressed. As free software, R has a wide range of application. In this article, three different types of usage of R in chemistry are listed in detail, which are molecular dynamics data statistics, physical chemistry experimental data analysis and carbon nanotube construction. Besides these, R can also do a good job in pattern recognition, graphical techniques and so on, become a valuable tool for chemists.
出处
《化学通报》
CAS
CSCD
北大核心
2006年第5期388-392,共5页
Chemistry
关键词
自由软件
R程序
非线性回归
碳纳米管
Free software, R software, Non-linear regression, Carbon nanotube
