Last updated on Tuesday, September 16, 2014 <!-- coins metadata inserted by kblog-metadata --> Update, 16th Sep, 2014: Started an writeLatex-document on this topic. Is there an open source p...
Read ItLast week, I posted an article about sigmoid functions and how to use them. Nevertheless, it is hard to guess the parameters for a given problem. So, people use software such as Origin [1] or QtiPl...
Read It[abstract] ABSTRACT The chemisorption and electrochemical activity of 2,5-dihydroxythiophenol (DHT) and 2-(8-mercaptooctyl)-1,4-benzenediol (DHOT) on well-defined Pd(111) surfaces were stu...
Read ItI previously blogged about anomeric effects involving π electrons as donors, and my post on the conformation of 1,2-difluorethane turned out one of the most popular. Here I thought I would present ...
Read ItI have promised my Twitter followers the SPARQL query you have all been waiting for. Sadly, you had to wait for it for more than two months. I'm sorry about that. But, here it is: PREFIX wd: <ht...
Read ItThe knowledge that substituents on a benzene ring direct an electrophile engaged in a ring substitution reaction according to whether they withdraw or donate electrons is very old.[1] Introductory ...
Read ItPreviously on this blog: modelling the reduction of cinnamaldehyde using one molecule of lithal shows easy reduction of the carbonyl but a high barrier at the next stage, the reduction of the doubl...
Read ItThis is rather cranking the handle, but taking my previous post and altering the search definition of the crystal structure database from 4- to 5-coordinate metals, one gets the following. Fe … ...
Read ItAmides with an H-N group are a component of the peptide linkage (O=C-NH). Here I ask what the conformation (it could also be called a configuration) about the C-N bond is. A search of the following...
Read ItThe electronic interaction between a single bond and an adjacent double bond is often called σ-π-conjugation (an older term for this is hyperconjugation), and the effect is often used to e.g. expla...
Read ItOne of the (not a few) pleasures of working in a university is the occasional opportunity that arises to give a new lecture course to students. New is not quite the correct word, since the topic I ...
Read ItI noted previously that some 8-ring cyclic compounds could exist in either a planar-aromatic or a non-planar-non-aromatic mode, the mode being determined by apparently quite small changes in a ring...
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