Rogue Scholar Posts

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Chemical Sciences
Published in Corin Wagen

I don’t write about my non-working life much on the Internet; my online presence has been pretty closely tied to Rowan and I try to adhere to some level of what Mary Harrington calls “digital modesty” regarding my family. Still, some basic demographics are helpful for context. I have two kids (aged 2 and 4) and one more due in December.

Interesting ChemistryChemical Sciences
Published in Henry Rzepa's Blog

In the previous post I mooted the possibility that a high energy form of the dimer of nitric oxide 1 might nonetheless be able to be detected using suitable traps (such as hydrogenation or cycloaddition). However, an interesting alternative is that this species could be trapped by nitric oxide itself.

Computational ChemistryDTKWhite PapersAIMAtoms In MoleculesChemical Sciences
Published in Dr. Joaquin Barroso's Blog

The new DensToolKitViewer just got even better! So, if you want to update DTKViewer to make the most of the new features, in this tutorial we shall compile and install DensToolKitViewer. We provide the explicit steps to compile under Ubuntu and under MacOSX. We will assume that the git repo is cloned in /home/your_username/Downloads.

Interesting ChemistryChemical Sciences
Published in Henry Rzepa's Blog

Two years ago, I posted on the topic “Internet Archeology: reviving a 2001 article published in the Internet Journal of Chemistry (IJC)”. The IJC had been founded in 1998,  in part at least to “re-invent” the scholarly journal by elevating research data to being a more integrated part of the overall article, rather than as […]