Electronic structures of hafnium dimer and trimer by density functional theory

Journal of Molecular Structure: THEOCHEM

Volumn 680, Issue 1-3, 2004, Pages 1-4

  Jin, P C ^a   Han, B ^a   Dai, Z W ^a   Wu, Z J ^b  

^a JILIN UNIVERSITY   (China)

^b CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY   (China)

Author keywords

Density functional theory; Electronic structure; Hafnium dimer and trimer

Indexed keywords

DIMER; HAFNIUM;

ARTICLE; CALCULATION; CHEMICAL BOND; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; DISSOCIATION CONSTANT; EQUILIBRIUM CONSTANT; GEOMETRY; VIBRATION;

EID: 4143150578     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.04.023     Document Type: Article

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