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Sometimes I also teach the chapter on geometry optimization and I teach the chapter onĭFT and here I have developed an exercise using bond energies. With the other instructors and the topic I cover.
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Here in Copenhagen I co-teach a similar course with 5 other people, so I just getġ-2 exercises a year, and here I try to fit the content of the exercises in I also made this check list for a report and a list of questions for each experiment (taken from the book): exp 4, exp 11, exp 34, and exp 76.
#Chemdoodle citatioon how to
I graded the first write-up (of exp 4) very lightly and then gave the student this example write-up of exp 4 so they could see how how to do it. The computational component of the other half of the course was individual research projects.Īssign an experiment on a Monday, discuss it the following Monday, and have a Specifically experiments 4, 11, 34 and 76. When I taught a computational chemistry course in Iowa I used exercises from " A Laboratory Book of Computational Organic Chemistry" by Warren Hehre et al., and Spartan in those Here's my reply in a slightly edited form.
#Chemdoodle citatioon free
Since I took the trouble of writing him back, it occurred to me that I had free blog material. Noel O.) wrote me asking if I had any computational exercises I'd be willing to share. That will change with epub3 and, when combined with ChemDoodle Web Components, should allow us to make interactive chemistry textbooks that can be read on most devices.
#Chemdoodle citatioon code
But I think ChemDoodle Web Components holds tremendous promise for interactive chemistry textbooks when combined with another new innovation on the horizon: EPUB3.Įpub is basically code that makes XHTML look nice when viewed in an epub reader (such as iBooks), but the current version does not allow for things like javascript, needed for interactivity. It is the Molecules app that is used in the interactive text book from Inkling that I wrote about earlier (thanks again to Henry Rzepa for the info).
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You can get access to it now by downloading Google Chrome (BETA). The 3D version of ChemDoodle Web Components requires something called WebGL, which is not available in standard browsers yet, but should be soon. Chemdoodle Web Components should work on most browsers and most operating systems, and a fully 3D version is also available. The Molecules app looks a bit more three dimensional, but works only on the iPad. I know of just two options for interactive models for the iPad: the Molecules app by Brad Larson and ChemDoodle Web Components ( TwirlyMol does not appear to be interactive on the iPad). This decision by Apple basically means back to square one for interactive chemistry when it comes to the iPad. Readers of this blog will know that I am quite fond of Jmol for interactive molecular models, but Jmol is written in Java, which is not supported by the iOS operating system that iPads, iPhones, and iPods use - and perhaps it never will be. It is made with ChemDoodle Web Components ( a modified version of this page), an open source javascript based toolkit for chemistry, made by Kevin Theisen and co-workers at his company iChemLabs. I have bought an iPad! In honor of this purchase I bring to you this blog's first interactive figure that also works on the iPad (and most other mobile devices).