Ab initio study for the effect of hydrogen bonds in the intermolecular interaction between high-spin molecules

Synthetic Metals

Volumn 137, Issue 1-3, 2003, Pages 1349-1350

  Zhang, J ^a   Wang, L ^a   Zhang, H ^a   Wang, R ^a  

^a NORTHEAST NORMAL UNIVERSITY   (China)

Author keywords

Ab initio quantum chemical calculations; High spin molecules; Hydrogen bonds; Intermolecular interaction

Indexed keywords

DIAMAGNETIC MATERIALS; ELECTRONIC STRUCTURE; FERROMAGNETISM; GROUND STATE; HYDROGEN BONDS; MOLECULAR DYNAMICS;

SPIN INTERACTIONS;

DIMERS;

EID: 0037419278     PISSN: 03796779     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0379-6779(02)01088-3     Document Type: Article

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