Thermal vibrations of Li+ ion and Li atom at the circumference of graphite cluster model: A direct molecular dynamics calculation

Journal of Molecular Structure: THEOCHEM

Volumn 544, Issue 1-3, 2001, Pages 173-180

  Shimizu, Akira ^a   Tachikawa, Hiroto ^a  

^a HOKKAIDO UNIVERSITY   (Japan)

Author keywords

Circumference effect; Direct molecular orbital dynamics; Graphite cluster model; Li+ ion and Li atom; Semi empirical calculations

Indexed keywords

GRAPHITE; LITHIUM;

ARTICLE; CALCULATION; DENSITY; ELECTRON TRANSPORT; ENERGY; MOLECULAR DYNAMICS; THERMAL ANALYSIS; VIBRATION;

EID: 0035796562     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(01)00376-1     Document Type: Article

References (11)