(Q38446420)

3 September 2017

title

An extended ab initio QM/MM MD approach to structure and dynamics of Zn(II) in aqueous solution (English)

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3 September 2017

M Qaiser Fatmi

1

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3 September 2017

Thomas S Hofer

series ordinal

2

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3 September 2017

Bernhard R Randolf

series ordinal

3

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3 September 2017

Bernd M Rode

series ordinal

4

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3 September 2017

language of work or name

English

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publication date

1 August 2005

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Journal of Chemical Physics

3 September 2017

published in

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3 September 2017

volume

123

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3 September 2017

issue

5

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3 September 2017

page(s)

054514

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Eukaryotic zinc transporters and their regulation

3 September 2017

cites work

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Development and validation of an integrated computational approach for the study of ionic species in solution by means of effective two-body potentials. The case of Zn2+, Ni2+, and Co2+ in aqueous solutions.

21 January 2018

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Electronic structure calculations on workstation computers: The program system turbomole

21 January 2018

1 reference

Many-body effects in intermolecular forces

21 January 2018

1 reference

The missing term in effective pair potentials

21 January 2018

1 reference

Molecular orbital predictions of the vibrational frequencies of some molecular ions

21 January 2018

1 reference

Structure and dynamics of hydrated ions

21 January 2018

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21 January 2018

Identifiers

DOI

10.1063/1.1996575

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3 September 2017

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