Structure and dynamics of sulfate ion in aqueous solution-an ab initio QMCF MD simulation and large angle X-ray scattering study

Journal of Physical Chemistry B

Volumn 111, Issue 16, 2007, Pages 4150-4155

  Vchirawongkwin, Viwat ^a   Rode, Bernd M ^a   Persson, Ingmar ^b  

^a UNIVERSITY OF INNSBRUCK   (Austria)

^b SWEDISH UNIVERSITY OF AGRICULTURAL SCIENCES   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; HYDROGEN BONDS; IONS; LIGANDS; MOLECULAR DYNAMICS; QUANTUM THEORY; X RAY SCATTERING;

COORDINATION NUMBER; CORRELATION ENERGY; QUANTUM MECHANICAL CHARGE FIELD (QMCF); SULFATE IONS;

SULFUR COMPOUNDS;

EID: 34248590951     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0702402     Document Type: Article

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