Structural arrangement and dynamics of the hydrated Mg2+: An ab initio QM/MM molecular dynamics simulation

Chemical Physics Letters

Volumn 409, Issue 4-6, 2005, Pages 304-309

  Tongraar, Anan ^a   Rode, Bernd Michael ^b  

^a SURANAREE UNIVERSITY OF TECHNOLOGY   (Thailand)

^b UNIVERSITY OF INNSBRUCK   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

COMPLEXATION; COMPUTER SIMULATION; MOLECULAR DYNAMICS; ORGANIC SOLVENTS; SOLUTIONS; STRUCTURE (COMPOSITION); WATER;

PICOSECOND DYNAMICS; SIX WATER MOLECULES; STRUCTURAL ARRANGEMENT;

HYDRATION;

EID: 20444476746     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2005.04.062     Document Type: Article

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