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 />
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''Redox Potentials from Ab Initio Molecular Dynamics and Explicit Entropy Calculations: Application to Transition Metals in Aqueous Solution''; <br />
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[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).