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Volumn 17, Issue 1, 2015, Pages 126-129

Structures of [Li(glyme)]+ complexes and their interactions with anions in equimolar mixtures of glymes and Li[TFSA]: Analysis by molecular dynamics simulations

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EID: 84949117643     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/c4cp04718d     Document Type: Article
Times cited : (91)

References (42)
  • 5
    • 7644227934 scopus 로고    scopus 로고
    • K. Xu Chem. Rev. 2004 104 4303
    • (2004) Chem. Rev. , vol.104 , pp. 4303
    • Xu, K.1
  • 41
    • 0029912748 scopus 로고    scopus 로고
    • It is well recognized that the self-diffusion coefficients of ions in ionic liquids obtained by molecular dynamics simulations using commonly used non-polarizable force field are about one order smaller than the experimental values in general. Ref. 13c and molecular dynamics simulations by other groups show that the calculated self-diffusion coefficients well reproduce the qualitative trend of the ion dependence of the self-diffusion coefficients, although the absolute values of the calculated self-diffusion coefficients are smaller than experimental ones
    • W. L. Jorgensen D. S. Maxwell J. Tirado-Rives J. Am. Chem. Soc. 1996 118 11225
    • (1996) J. Am. Chem. Soc. , vol.118 , pp. 11225
    • Jorgensen, W.L.1    Maxwell, D.S.2    Tirado-Rives, J.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.