Long-range solvent effects on the orbital interaction mechanism of water acidity enhancement in metal ion solutions: a comparative study of the electronic structure of aqueous Mg and Zn dications

L. Bernasconi; E.J. Baerends; M. Sprik

doi:10.1021/jp0609941

Long-range solvent effects on the orbital interaction mechanism of water acidity enhancement in metal ion solutions: a comparative study of the electronic structure of aqueous Mg and Zn dications

L. Bernasconi, E.J. Baerends, M. Sprik

Research output: Contribution to Journal › Article › Academic › peer-review

Abstract

We study the dissociation of water coordinated to a divalent metal ion center, M

Original language	English
Pages (from-to)	11444-53
Journal	Journal of Physical Chemistry B
Volume	110
Issue number	23
DOIs	https://doi.org/10.1021/jp0609941
Publication status	Published - 2006

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10.1021/jp0609941

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title = "Long-range solvent effects on the orbital interaction mechanism of water acidity enhancement in metal ion solutions: a comparative study of the electronic structure of aqueous Mg and Zn dications",

abstract = "We study the dissociation of water coordinated to a divalent metal ion center, M",

author = "L. Bernasconi and E.J. Baerends and M. Sprik",

year = "2006",

doi = "10.1021/jp0609941",

language = "English",

volume = "110",

pages = "11444--53",

journal = "Journal of Physical Chemistry B",

issn = "1520-6106",

publisher = "American Chemical Society",

number = "23",

}

Long-range solvent effects on the orbital interaction mechanism of water acidity enhancement in metal ion solutions: a comparative study of the electronic structure of aqueous Mg and Zn dications. / Bernasconi, L.; Baerends, E.J.; Sprik, M.
In: Journal of Physical Chemistry B, Vol. 110, No. 23, 2006, p. 11444-53.

Research output: Contribution to Journal › Article › Academic › peer-review

TY - JOUR

T1 - Long-range solvent effects on the orbital interaction mechanism of water acidity enhancement in metal ion solutions: a comparative study of the electronic structure of aqueous Mg and Zn dications

AU - Bernasconi, L.

AU - Baerends, E.J.

AU - Sprik, M.

PY - 2006

Y1 - 2006

N2 - We study the dissociation of water coordinated to a divalent metal ion center, M

AB - We study the dissociation of water coordinated to a divalent metal ion center, M

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U2 - 10.1021/jp0609941

DO - 10.1021/jp0609941

M3 - Article

SN - 1520-6106

VL - 110

SP - 11444

EP - 11453

JO - Journal of Physical Chemistry B

JF - Journal of Physical Chemistry B

IS - 23

ER -

Long-range solvent effects on the orbital interaction mechanism of water acidity enhancement in metal ion solutions: a comparative study of the electronic structure of aqueous Mg and Zn dications

Abstract

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