Car-Parrinello molecular dynamics simulations of Na+ solvation in water, methanol and ethanol

Chemical Physics Letters

Volumn 538, Issue , 2012, Pages 60-66

  Zeng, Yongping ^a   Hu, Junmei ^a   Yuan, Yu ^a   Zhang, Xiaobin ^a   Ju, Shengui ^b  

^a YANGZHOU UNIVERSITY   (China)

^b NANJING TECH UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ETHANOL; METHANOL; SOLVATION;

CAR-PARRINELLO MOLECULAR DYNAMICS SIMULATIONS; COORDINATION NUMBER; MOLECULAR SIZE; ORIENTATIONAL CORRELATIONS; SOLVATION SHELL; TRANSLATIONAL DYNAMICS;

MOLECULAR DYNAMICS;

EID: 84861576613     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2012.04.035     Document Type: Article

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