Archive for November, 2016
Wednesday, November 30th, 2016
In an earlier post, I searched for small C-C-C angles, finding one example that was also accompanied by an apparently exceptionally long C-C bond (2.18Å). But this arose from highly unusual bonding giving rise not to a single bond order but one closer to one half! How long can a “normal” (i.e single) C-C bond get, a question which has long fascinated chemists.
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Tags:Aviation, Bond order, Carbon–carbon bond, Chemical bond, chemical bonding, Interesting chemistry, naive search, search query, single bond
Posted in crystal_structure_mining | No Comments »
Friday, November 25th, 2016
Another conference, a Cambridge satellite meeting of OpenCon, and I quote here its mission: “OpenCon is a platform for the next generation to learn about Open Access, Open Education, and Open Data, develop critical skills, and catalyze action toward a more open system of research and education” targeted at students and early career academic professionals. But they do allow a few “late career” professionals to attend as well!
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Tags:Academia, author, Chemical IT, chemist, City: Cambridge, Company: Twitter, ELife, Erin McKiernan, General, keynote speaker, Max Planck Society, programmer, Simon Deakin, Social Media & Networking, speaker, Technology/Internet, Wellcome Trust
Posted in Uncategorised | 3 Comments »
Monday, November 14th, 2016
Chloroform, often in the deuterated form CDCl3, is a very common solvent for NMR and other types of spectroscopy. Quantum mechanics is increasingly used to calculate such spectra to aid assignment and the solvent is here normally simulated as a continuum rather than by explicit inclusion of one or more chloroform molecules. But what are the features of the hydrogen bonds that form from chloroform to other acceptors? Here I do a quick search for the common characteristics of such interactions.
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Tags:chemical shifts, Chloroform, Deuterated chloroform, Deuterated methanol, Hydrogen bond, Nuclear magnetic resonance, spectroscopy
Posted in crystal_structure_mining | 5 Comments »
Thursday, November 10th, 2016
This is sent from the Pidapalooza event in Reykjavik, Iceland, and is a short collection of notable things I learnt or which attracted my attention.
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Tags:active site, Bill Gates, Chemical IT, City: Reykjavik, Country: Iceland, scientist, social media, Technology/Internet
Posted in Uncategorised | 1 Comment »