Importance of counteranions on the hydration structure of the curium ion

Journal of Physical Chemistry Letters

Volumn 4, Issue 13, 2013, Pages 2166-2170

  Atta Fynn, Raymond ^a,b   Bylaska, Eric J ^a   De Jong, Wibe A ^a  

^a PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

^b UNIVERSITY OF TEXAS AT ARLINGTON   (United States)

Author keywords

ab initio molecular dynamics; curium ion; free energies; hydration; hydrogen bonding; perchlorate

Indexed keywords

AB INITIO MOLECULAR DYNAMICS; COORDINATION STATE; COUNTER ANIONS; FIRST HYDRATION SHELL; HYDRATION SHELL STRUCTURE; HYDRATION STRUCTURE; MOLECULAR SIMULATIONS; PERCHLORATE;

CHLORINE COMPOUNDS; CURIUM; FREE ENERGY; HYDRATION; INORGANIC COMPOUNDS; IONS; MOLECULAR DYNAMICS;

HYDROGEN BONDS;

EID: 84879754257     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz400887a     Document Type: Article

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