JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS
|
1992年
/
88卷
/
20期
关键词:
D O I:
10.1039/ft9928802995
中图分类号:
O64 [物理化学(理论化学)、化学物理学];
学科分类号:
070304 ;
081704 ;
摘要:
The previous definition of a bond index between two atoms within a molecular framework is extended so as to represent a group-group bond index. The present index gives an adequate account of hydrogen-bonded nucleotide base dimers and unusual weakly bonded associations. A single number may thus render a reasonable qualitative idea of intra- and inter-molecular binding. The index leads to a definition of molecular valence.