In the third part the B-DNA self-complementary dodecamer CGCGAATTCGCG, which is often taken as the objective in experiments, was used in the ONIOM structure determination of B-DNA.

• 第三部分使用ONIOM分层法对实验上经常成为研究对象的B-DNA序列片段CGCGAATTCGCG作结构最佳化计算。