Ab initio molecular dynamics study of polarization effects on ionic hydration in aqueous AlCl3 solution

Journal of Chemical Physics

Volumn 119, Issue 23, 2003, Pages 12386-12392

  Ikeda, Takashi ^a   Hirata, Masaru ^a   Kimura, Takaumi ^a  

^a JAPAN ATOMIC ENERGY AGENCY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; HYDRATION; HYDROLYSIS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; SOLUTIONS; WATER;

DIPOLE MOMENTS; IONIC HYDRATION; POLARIZATION EFFECTS; SOLVATION SHELL DYNAMICS; SOLVATION SHELL STRUCTURE;

ALUMINUM COMPOUNDS;

EID: 0347949903     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1627323     Document Type: Article

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