QM/MM molecular dynamics simulation of the structure of hydrated Fe(II) and Fe(III) ions

Journal of Physical Chemistry A

Volumn 107, Issue 13, 2003, Pages 2324-2328

  Remsungnen, Tawun ^a   Rode, Bernd M ^a  

^a UNIVERSITY OF INNSBRUCK   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

COORDINATION NUMBER; HYDRATION ENERGIES; HYDRATION SHELL STRUCTURE; QUANTUM MECHANICAL LEVEL; THREE BODY POTENTIALS;

COMPUTER SIMULATION; ENTHALPY; HYDRATION; IONS; IRON; MOLECULAR STRUCTURE; QUANTUM THEORY; WATER;

MOLECULAR DYNAMICS;

EID: 0038393127     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp027007i     Document Type: Article

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