Extending the polarizable continuum model to effective ab initio pair potentials in multicomponent solutions: A test on calcium–water and calcium–ammonia potentials
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.1453956
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5. Water exchange on metal ions: experiments and simulations
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3. A classical force field for tetrahedral oxyanions developed using hydration properties: The examples of pertechnetate (TcO4−) and sulfate (SO42−);The Journal of Chemical Physics;2015-11-07
4. Hydration of Two Cisplatin Aqua-Derivatives Studied by Quantum Mechanics and Molecular Dynamics Simulations;Journal of Chemical Theory and Computation;2015-03-17
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