Structural and dynamical properties of the Hg2+ aqua ion: A molecular dynamics study

Journal of Physical Chemistry B

Volumn 112, Issue 15, 2008, Pages 4694-4702

  Mancini, Giordano ^a,b   Sanna, Nico ^a   Barone, Vincenzo ^c   Migliorati, Valentina ^b   D'Angelo, Paola ^b   Chillemi, Giovanni ^a  

^a CASPUR   (Italy)

^b SAPIENZA UNIVERSITY OF ROME   (Italy)

^c UNIVERSITY OF NAPLES FEDERICO II   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ANGULAR DISTRIBUTION; DIFFUSION IN LIQUIDS; DISTRIBUTION FUNCTIONS; EXTENDED X RAY ABSORPTION FINE STRUCTURE SPECTROSCOPY; HYDRATION; MOLECULES; QUANTUM THEORY; RESIDENCE TIME DISTRIBUTION; SOLUTIONS; X RAY ABSORPTION;

CORRELATION FUNCTION; DYNAMICAL PROPERTIES; EXTENDED X-RAY ABSORPTION FINE STRUCTURES; FIRST HYDRATION SHELL; HYDRATION PROPERTIES; MOLECULAR DYNAMICS SIMULATIONS; QUANTUM-MECHANICAL CALCULATION; SELF-DIFFUSION COEFFICIENTS;

MOLECULAR DYNAMICS;

MERCURY; WATER;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; QUANTUM THEORY; SOLUTION AND SOLUBILITY; THERMODYNAMICS; TIME;

COMPUTER SIMULATION; MERCURY; MODELS, CHEMICAL; QUANTUM THEORY; SOLUTIONS; THERMODYNAMICS; TIME FACTORS; WATER;

EID: 45549095289     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp074545s     Document Type: Article

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