Topological studies on IRC paths of X + H2 → XH + H reactions

Journal of Computational Chemistry

Volumn 18, Issue 9, 1997, Pages 1167-1174

  Zheng, Shijun ^a   Meng, Lingpeng ^a   Cai, Xinhua ^a   Xu, Zhenfeng ^a   Fu, Xiaoyuan ^b  

^a HEBEI NORMAL UNIVERSITY   (China)

^b BEIJING NORMAL UNIVERSITY   (China)

Author keywords

Electronic density distribution; Intrinsic reaction coordinate paths; Potential energy; Topological properties

Indexed keywords

EID: 0042352353     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(19970715)18:9<1167::AID-JCC5>3.0.CO;2-P     Document Type: Article

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