"Structure-making" ability of Na+ in dilute aqueous solution: An ONIOM-XS MD simulation study

Journal of Physical Chemistry A

Volumn 117, Issue 8, 2013, Pages 1826-1833

  Sripa, Pattrawan ^a   Tongraar, Anan ^a   Kerdcharoen, Teerakiat ^b  

^a SURANAREE UNIVERSITY OF TECHNOLOGY   (Thailand)

^b MAHIDOL UNIVERSITY   (Thailand)

Author keywords

[No Author keywords available]

Indexed keywords

COORDINATION REACTIONS; WATER TREATMENT;

BASIS SETS; CLASSICAL PAIR POTENTIALS; COORDINATED COMPLEXES; DILUTE AQUEOUS SOLUTION; INNER SHELL; MD SIMULATION; STRUCTURE OF WATERS; WATER MOLECULE;

MOLECULES;

EID: 84874603355     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp312230g     Document Type: Article

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