Visitors   Views   Downloads
NOT PEER-REVIEWED
"PeerJ Preprints" is a venue for early communication or feedback before peer review. Data may be preliminary.

A peer-reviewed article of this Preprint also exists.

View peer-reviewed version

Supplemental Information

Energies of all intermediates

DOI: 10.7287/peerj.preprints.909v1/supp-1

Geometries of every molecule analyzied in the paper, in .xyz format

Geometries of every molecule analyzied in the paper, in .xyz format. Most molecular visualization software (Chemcraft, YASARA, etc.) will open it effortlessly

DOI: 10.7287/peerj.preprints.909v1/supp-2

Additional Information

Competing Interests

The authors declare they have no competing interests.

Author Contributions

Pedro J Silva conceived and designed the experiments, performed the experiments, analyzed the data, contributed reagents/materials/analysis tools, wrote the paper, prepared figures and/or tables, reviewed drafts of the paper.

Viviana Rodrigues performed the experiments, analyzed the data.

Data Deposition

The following information was supplied regarding the deposition of related data:

Complete data files (including input, output and checkkpoint files) are available in Figshare

http://dx.doi.org/10.6084/m9.figshare.991852

Funding

Some portions of the work were performed using computational resources acquired under project PTDC/QUI-QUI/111288/2009, funded by the Portuguese Fundação para a Ciência e Tecnologia and FEDER through Programa Operacional Factores de Competitividade–COMPETE. The funders had no role in study design, data collection and analysis, decision The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript.


Add your feedback

Before adding feedback, consider if it can be asked as a question instead, and if so then use the Question tab. Pointing out typos is fine, but authors are encouraged to accept only substantially helpful feedback.

Some Markdown syntax is allowed: _italic_ **bold** ^superscript^ ~subscript~ %%blockquote%% [link text](link URL)
 
By posting this you agree to PeerJ's commenting policies