摘要
应用图论中“色图”的概念来表达２ Ｄ Ｎ Ｍ Ｒ 信息，使得色图的每个节点对应于一个一维共振峰或完全重叠的几个峰，节点的颜色表示其化学位移以及其多重性和积分；色图的每条边对应于两个一维共振峰之间的相关关系。
The concept of chromatic graph in graph theory is applied to the computer representation of 2D NMR information in such a way so that each node of the graph corresponds to one 1D peak of several degenerated peaks with the chromatism of the node representing the chemical shift and,if discernible,the multiplicity and integral of the 1D peak and each edge of the graph corresponds to the correlation between a pair of 1D peaks,with the chromatism representing the cross peak intensity.
出处
《河南大学学报（自然科学版）》
CAS
1999年第3期60-62,共3页
Journal of Henan University:Natural Science
关键词
2D核磁共振光谱
图论
计算机表达
two dimensional nuclear magnetic resonance spectroscopy
graph theory
computer representation
