Difference between revisions of "DoSPT publications"
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This is a list of publications that highlight the capabilities and/or make use of the DoSPT code. | This is a list of publications that highlight the capabilities and/or make use of the DoSPT code. | ||
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| + | == 2017 == | ||
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| + | '''Miguel A. Caro, Olga Lopez-Acevedo, and Tomi Laurila''';<br /> | ||
| + | ''Redox Potentials from Ab Initio Molecular Dynamics and Explicit Entropy Calculations: Application to Transition Metals in Aqueous Solution''; <br /> | ||
| + | [http://pubs.acs.org/doi/abs/10.1021/acs.jctc.7b00314 J. Chem. Theory Comput., DOI: 10.1021/acs.jctc.7b00314]. | ||
== 2016 == | == 2016 == | ||
Revision as of 06:20, 28 July 2017
This is a list of publications that highlight the capabilities and/or make use of the DoSPT code.
2017
Miguel A. Caro, Olga Lopez-Acevedo, and Tomi Laurila;
Redox Potentials from Ab Initio Molecular Dynamics and Explicit Entropy Calculations: Application to Transition Metals in Aqueous Solution;
J. Chem. Theory Comput., DOI: 10.1021/acs.jctc.7b00314.
2016
Miguel A. Caro, Tomi Laurila, and Olga Lopez-Acevedo;
Accurate schemes for calculation of thermodynamic properties of liquid mixtures from molecular dynamics simulations;
J. Chem. Phys. 145, 244504 (2016).
