Effects of many-body interactions on the preferential solvation of Mg2+ in aqueous ammonia solution: A born-oppenheimer ab initio QM/MM dynamics study

Journal of Physical Chemistry B

Volumn 105, Issue 43, 2001, Pages 10559-10564

  Tongraar, Arian ^a   Sagarik, Kritsana ^a   Rode, Bernd Michael ^b  

^a SURANAREE UNIVERSITY OF TECHNOLOGY   (Thailand)

^b UNIVERSITY OF INNSBRUCK   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

SHELL STRUCTURE;

COMPUTER SIMULATION; ELECTROLYTES; MAGNESIUM COMPOUNDS; MOLECULAR DYNAMICS; POSITIVE IONS; QUANTUM THEORY; SOLUTIONS;

AMMONIA;

EID: 0035525913     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp012103p     Document Type: Article

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