Difference between revisions of "Frequently asked questions"
From DoSPT
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=== How should I cite the DoSPT code? === | === How should I cite the DoSPT code? === | ||
| − | If you publish results obtained with the DoSPT code, please add both a reference to this website (dospt.org) and | + | If you publish results obtained with the DoSPT code, please add both a reference to this website (dospt.org) and at least one of the following papers (whichever is most appropriate): |
| + | |||
| + | '''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''; | ||
| + | [http://pubs.acs.org/doi/abs/10.1021/acs.jctc.7b00314 J. Chem. Theory Comput., DOI: 10.1021/acs.jctc.7b00314]. | ||
'''Miguel A. Caro, Tomi Laurila, and Olga Lopez-Acevedo'''; | '''Miguel A. Caro, Tomi Laurila, and Olga Lopez-Acevedo'''; | ||
''Accurate schemes for calculation of thermodynamic properties of liquid mixtures from molecular dynamics simulations''; | ''Accurate schemes for calculation of thermodynamic properties of liquid mixtures from molecular dynamics simulations''; | ||
[http://aip.scitation.org/doi/pdf/10.1063/1.4973001 J. Chem. Phys. 145, 244504 (2016)]. | [http://aip.scitation.org/doi/pdf/10.1063/1.4973001 J. Chem. Phys. 145, 244504 (2016)]. | ||
Revision as of 06:22, 28 July 2017
If your question regarding DoSPT is not fully answered in this list, please send an email to Miguel Caro (miguel.caro@dospt.org), who will try to come back to you with a reply as soon as possible.
List of frequently-asked questions
How should I cite the DoSPT code?
If you publish results obtained with the DoSPT code, please add both a reference to this website (dospt.org) and at least one of the following papers (whichever is most appropriate):
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.
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).
