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Dr. Joaquin Barroso's Blog

Scientific log of a computational chemist - "Make like a molecule and React!"
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BooksRandom ThoughtsScienceTeachingAmazementChemical Sciences
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When I heard the learn’d astronomer; When the proofs, the figures, were ranged in columns before me; When I was shown the charts and the diagrams, to add, divide, and measure them; When I, sitting, heard the astronomer, where he lectured with much applause in the lecture-room, How soon, unaccountable, I became tired and sick; […]

ChemistryGreen ChemistryPhilosophyScienceTalksChemical Sciences
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Next week, on december 8th, the Joint Center for Research in Sustainable Chemistry (to which I am ascribed) will host a Symposium on Green and Sustainable Chemistry in which German Alumni -almost exclusively from Mexico- will participate with talks on the impact and development of new techniques on green chemistry. We’ll be honored with the visit of Prof. Dr. Reinhard.

InternetMathematicsRandom ThoughtsChuck NorrisChemical Sciences
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It is widely known by now, the existence of a list called “The Chuck Norris facts” in which macho attributes of this eighties redneck action hero are exacerbated for the sake of humor. The list includes such amusing facts like: “Chuck Norris doesn’t eat honey, he chews bees” “When Chuck Norris does a pushup, he’s pushing the Earth down” “Chuck Norris counted to infinity;

MathematicsNobel PrizeRandom ThoughtsScienceChemical Sciences
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Around early October the scientific community -or at least part of it- starts getting excited about what could be considered the most prestigious award a scientist could ever achieve: The Nobel Prize. The three categories that interest me the most are: Chemistry, Physics and Literature.

Random ThoughtsCareerCareer AdviceScienceScientific Career AdviceChemical Sciences
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I usually read the whole info on the Statistics page that WordPress provides to this blog in order to know how many visitors drop by during the week; what other sites are sending me some traffic, if any, or what searches are readers performing which leads them to my blog. Last week I found this post title as one of the Google searches that ultimately made someone find my blog.

MathematicsQSARTalksTeachingCCIQSChemical Sciences
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Teaching has never been my cup of  tea. Karl Friederich Gauss said “Good students do not need a teacher and bad students, well, why do they want one?” I once read this quote somewhere, and although I don’t know if he actually said it or not, there is some truth to it. It is known that Gauss didn’t like teaching, still spent most of his life doing it. Anyway, teaching is important and it has to be done!

Computational ChemistryGaussianSoftwareTricksChemical Sciences
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This post will become updated continuously in order to include as much of these useful tips as I find along the way, so if you are interested please subscribe so you don’t have to visit often. Some are old or even a bit obsolete in terms of software versions but I still include them so they can all be gathered in one place;

Computational ChemistryInternetChemical Sciences
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I just recently found out this very blog of mine was found and ranked by the Chemical blogspace as number 96 (out of about 250, before you ask). I still don’t know how do they do the math but it seems it has to do with the number of clicks a blog gets over a certain period of time and relating that somehow to the number of new posts over that same period.

Computational ChemistryTheoretical ChemistryWhite PapersFukuiOrbital PopulaionChemical Sciences
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It seems a bit weird that there isn’t much information on this topic on the internet. Recently I’ve had to calculate some of these indices to explain an anomalous behaviour in lactones formation and out of curiosity I ran a small search on the net about how to calculate them.