Difference between revisions of "DoSPT publications"
From DoSPT
Miguel Caro (talk | contribs) |
Miguel Caro (talk | contribs) (→2017) |
||
| Line 5: | Line 5: | ||
'''Miguel A. Caro, Olga Lopez-Acevedo, and Tomi Laurila''';<br /> | '''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 /> | ''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., | + | [http://pubs.acs.org/doi/abs/10.1021/acs.jctc.7b00314 J. Chem. Theory Comput. 13, 3432 (2017)]. |
== 2016 == | == 2016 == | ||
Revision as of 07:11, 8 August 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. 13, 3432 (2017).
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).
