BondSlam2018

Welcome to the second edition of the Unusual ChemBond Challenge @ https://bondslam.dipc.org

The literature is full of controversial molecules, which present unusual bonding situations that often are interpreted in a completely different way depending on the tools used for the analysis. In 2017, we asked for your help to review some interesting cases in the first edition of the Unusual Bonding Slam 2017 that we organized as part of the Chemical Bonds at the 21st Century conference held in Aachen, a satellite meeting to the WATOC 2017 conference.

This year we are organizing the second edition as part of the ESCB2 conference held in Oviedo. There are many chemical bonding tools that help to get an insight of the electronic structure of molecules but, in certain situations, some of them offer conflicting views or are pushed beyond its own limitations.

So we propose to discuss about them this year!!

Remember: everyone can participate, but this is not a place (or not only) to present your results, but rather to discuss about Methods and controversial results!!

We expect your feedback! Join the discussion! Upload your discussion&slides so that everyone can prepare answers/comments beforehand

Just like last year, if the challenge is succesfull, we will try to publish the results, with all participants as authors.

PICK A CHALLENGE (min 3 speakers/challenge)

The following list includes a preliminary list of challenges. Feel free to participate or to propose a new one!

• List of Challenges to Discuss in CB2018
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PREPARE 5 SLIDES

You can either choose a topic you have previously studied, support the viewpoint given by other researchers or simply put forward interesting data about the challenge.

All the speakers should upload their slides two weeks before the challenge takes place. You are allowed to comment on all the challenges regardless of your participation at the CB2017.

GIVE A 4 MINUTE PRESENTATION

For each topic, each participant has 4 minutes (4min/5slides format) to defend her/his point of view about the challenge. After the three presentations, a chairman (different for each topic) will moderate the 8-minute discussion session, where questions and comments will be addressed to the speakers. The chairman can also put forward comments included in the wiki page.

Identification

In creating your user account for this Wiki using this link please also populate e.g. http://dipc.ehu.es/bondslam/index.php/User:your-user-name with some information about yourself (such as e.g. your ORCID registered at http://orcid.org/). Anonymous contributors will not be selected for the bond slam.

When making a contribution to a page, please use the icon from the editor bar to insert your identification and to reveal the date of your edit.

Useful simple hints for enhancing the Wiki pages

• Use e.g. <ref>M. Malischewski, and K. Seppelt, ''Angewandte Chemie International Edition'', '''2016''', ''56'', 368-370. {{DOI|10.1002/anie.201608795}}</ref> when editing/contributing in order to cite references and have them auto-renumber..
  • The template {{DOI|10.1002/anie.201608795}} can be used to insert a DOI in the manner shown.
• A PDF file can be first uploaded and then inserted using e.g. [[file:name-of-file.pdf|200px]]
• Use e.g. <jmolFile text="Click to view 3D molecular model">TOQKIT.mol</jmolFile> to create a link to view a previously uploaded molecular coordinate file.
  • A more elaborate invocation is shown here, allowing a script to control the appearance of the 3D molecule display: <jmol><jmolApplet><title>CH3F(2-)</title><color>white</color> <size>200</size><script>frame 9;vectors 4;vectors scale 2.0;color vectors red;vibration 10;</script> <uploadedFileContents>CH3F.log</uploadedFileContents> </jmolApplet></jmol>
• If you have a quantum calculation that you wish to offer in evidence of any discussion, consider depositing it into a data repository and quoting the assigned DOI here so that we can all have access to the details of the calculation. Suitable repositories might be Figshare, Zenodo or institutional repositories that assign DOIs.
• If you wish to change your password or other preference, login in using your existing password and then click on Preferences to make your changes.
• Hint: if you are editing the source of any page with your own (and others) contributions, you might want to copy/paste the source into a local text file as your backup as a precaution.