Ab initio molecular dynamics study of an aqueous solution of [Fe(bpy) 3](Cl)2 in the low-spin and in the high-spin states

Journal of Physical Chemistry Letters

Volumn 1, Issue 12, 2010, Pages 1830-1835

  Lawson Daku, Latévi Max ^a   Hauser, Andreas ^a  

^a UNIVERSITY OF GENEVA   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO MOLECULAR DYNAMICS; AQUEOUS SOLUTIONS; FE COMPLEXES; HIGH SPIN STATE; PHOTO-INDUCED; REACTION COORDINATES; SOLVATION SHELL; SPIN-SPIN; THERMAL FLUCTUATIONS; ULTRAFAST SPECTROSCOPY; WATER MOLECULE;

CHROMOPHORES; MOLECULAR DYNAMICS; MOLECULES; PHOTOEXCITATION; REACTION KINETICS; SOLVATION;

SPIN DYNAMICS;

EID: 77953781288     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz100548m     Document Type: Article

References (35)

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