Ab initio molecular dynamics simulation of LiBr association in water

Journal of Chemical Physics

Volumn 113, Issue 23, 2000, Pages 10676-10684

  Izvekov, Sergei ^a   Philpott, Michael R ^a,b  

^a INSTITUTE OF MATERIALS RESEARCH AND ENGINEERING   (Singapore)

^b NATIONAL UNIVERSITY OF SINGAPORE   (Singapore)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON ENERGY LEVELS; ELECTRONIC STRUCTURE; MOLECULAR DYNAMICS; POLARIZATION; SOLVENTS; WATER;

LITHIUM BROMIDE;

LITHIUM COMPOUNDS;

EID: 0034497483     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1311965     Document Type: Article

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