Solvation of excess electrons in LiF ionic pair matrix: Evidence for a solvated dielectron from ab initio molecular dynamics simulations and calculations

Journal of Physical Chemistry B

Volumn 112, Issue 12, 2008, Pages 3767-3772

  Zhang, Liang ^a   Yan, Shihai ^a   Cukier, R I ^b   Bu, Yuxiang ^a,b  

^a SHANDONG UNIVERSITY   (China)

^b MICHIGAN STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULAR DYNAMICS; NANOFLUIDICS; QUANTUM CHEMISTRY;

AB INITIO MOLECULAR DYNAMICS (AIMD) SIMULATION; EXCESS ELECTRONS; FIRST-PRINCIPLES CALCULATIONS;

DYNAMICS;

FLUORIDE; ION; LITHIUM DERIVATIVE; LITHIUM FLUORIDE; SOLVENT;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; ELECTRON;

COMPUTER SIMULATION; ELECTRONS; FLUORIDES; IONS; LITHIUM COMPOUNDS; MODELS, MOLECULAR; SOLVENTS;

EID: 43049178235     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp800381a     Document Type: Article

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