Skip to main content

Posts

Featured

Perils of Open Science: Open Data not available during reviewing

Background  I'm a great fan of Open Science , as many are within the field of Chemistry. The past years I have made  most (if not all) of my papers available in Open Access, either through ChemRXiv , Green OA or Read+Publish deals that I or a colleague has with publishers. For the computational data we use iochem-bd , which in general works well, albeit that there are some issues that could be improved. On my website you will find links to all data next to the corresponding papers. The advantages of using iochem-bd are manifold: instead of endless pages with Cartesian coordinates, which are not always easily copy/paste-able in my experience, there is one line in the Supporting Information. For instance, see here  for the last set of data, which deals with two topological isomers. In the SI, it reads like this:  see  https://doi.org/10.19061/iochem-bd-4-65 That's all folks! the data can be visualized directly, from within the browser, without having to install any program, no

Latest Posts

ProTip: Solution for iCloud Drive not syncing

Derivation of the second derivatives of PBE correlation

Using QUILD with the 2020/2021 versions of ADF/AMS

Origin of the mysterious factor 2.6752 in COSMO

When is a book chapter an article?

My pymol settings (pymolrc, pymolrc.py)

The mystery of the disappearing internet

Filling in forms for EIN justification by Spanish ministry

Scientific publishing remains firmly tied to hybrid journals (Update on: "Impact of Plan-S on European Research in 10 scientific disciplines")

COSMO Atomic radii