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Royal Society of Chemistry, Dalton Transactions, 25(44), p. 11572-11581, 2015
DOI: 10.1039/c5dt01110h
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The importance of second shell effects in the simulation of hydrated Sr2+ hydroxide complexes
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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.