How to cite us

After publication, you can cite your published dataset using the following formats:

In-text citation example:

A data set collection of computational results is available in the ioChem-BD repository [ioChem-BD References] and can be accessed via [URL with the dataset DOI].

ioChem-BD main references:

J. Chem. Inf. Model. 2015, 55, 1, 95–103
Nat. Catal. 1, 809-810 (2018)

ACS (American Chemical Society) Style

Álvarez-Moreno, M.; de Graaf, C.; López, N.; Maseras, F.; Poblet, J. M.; Bo, C. J. Chem. Inf. Model. 2015, 55(1), 95–103.  https://doi.org/10.1021/ci500593j
Bo, C.; Maseras, F.; López, N. The Role of Computational Results Databases in Accelerating the Discovery of Catalysts.      Nat. Catal. 2018, 1, 809–810.  https://doi.org/10.1038/s41929-018-0176-4

APA (7th Edition):

Álvarez-Moreno, M., de Graaf, C., López, N., Maseras, F., Poblet, J. M., & Bo, C. (2015). Managing the computational chemistry big data problem: The ioChem-BD platform. Journal of Chemical Information and Modeling, 55(1), 95–103. https://doi.org/10.1021/ci500593j
Bo, C., Maseras, F., & López, N. (2018). The role of computational results databases in accelerating the discovery of catalysts. Nature Catalysis, 1, 809–810. https://doi.org/10.1038/s41929-018-0176-4

BibTeX:

@article{alvarez-moreno2015iochemBD,
  author = {Álvarez-Moreno, M. and de Graaf, C. and López, N. and Maseras, F. and Poblet, J. M.   and Bo, C.},
  title = {Managing the Computational Chemistry Big Data Problem: The ioChem-BD Platform},
  journal = {Journal of Chemical Information and Modeling},
  year = {2015},
  volume = {55},
  number = {1},
  pages = {95-103},
  doi = {10.1021/ci500593j}
}

@article{bo2018catalysisDB,
  author = {Bo, C. and Maseras, F. and López, N.},
  title = {The Role of Computational Results Databases in Accelerating the Discovery of Catalysts},
  journal = {Nature Catalysis},
  year = {2018},
  volume = {1},
  pages = {809-810},
  doi = {10.1038/s41929-018-0176-4}
}