The importance of second shell effects in the simulation of hydrated Sr2+ hydroxide complexes-Reference-Cited by-同舟云学术

The importance of second shell effects in the simulation of hydrated Sr2+ hydroxide complexes

Published:2015 Issue:25 Volume:44 Page:11572-11581
ISSN:1477-9226
Container-title:Dalton Transactions
language:en
Short-container-title:Dalton Trans.

Author:

Makkos Eszter¹²³⁴,Kerridge Andrew¹²³⁴¹,Kaltsoyannis Nikolas¹²³⁴

Affiliation:

1. Department of Chemistry

2. University College London

3. London WC1H 0AJ

4. UK

Abstract

Quantum chemical investigation of the aqueous solvation of strontium hydroxides reveals that the inclusion of an explicit second shell of water molecules is essential to accurately model such systems.

Publisher

Royal Society of Chemistry (RSC)

Subject

Inorganic Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2015/DT/C5DT01110H

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