Difference between revisions of "Frequently asked questions"

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(How should I cite the DoSPT code?)
 
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   '''Miguel A. Caro, Olga Lopez-Acevedo, and Tomi Laurila''';
 
   '''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'';
 
   ''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].
+
   [http://pubs.acs.org/doi/abs/10.1021/acs.jctc.7b00314 J. Chem. Theory Comput. 13, 3432 (2017)].
  
 
  '''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)].

Latest revision as of 07:12, 8 August 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. 13, 3432 (2017).
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).