A DFT study of electronic structures, energies, and molecular properties of lithium bis[croconato]borate and its derivatives

Electrochimica Acta

Volumn 53, Issue 2, 2007, Pages 990-997

  Xue, Zhao Ming ^a,b   Ding, Yu Zhen ^a   Chen, Chun Hua ^b  

^a ANHUI UNIVERSITY   (China)

^b UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

Author keywords

Borate; DFT; Electronic structures; Energies; Lithium salts; Molecular properties

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELECTROCHEMICAL OXIDATION; ELECTRONIC STRUCTURE; MOLECULAR ORBITALS; THERMODYNAMIC STABILITY; VOLTAMMETRY;

BORATE; LITHIUM SALTS; MOLECULAR PROPERTIES; NATURAL BOND ORBITAL (NBO);

LITHIUM;

EID: 35148816569     PISSN: 00134686     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.electacta.2007.08.013     Document Type: Article

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