There’s also an online Libre Text that will appear soon, but I know there are many articles published in J Chem. Ed. (and similar journals) that we haven’t tracked.
Here’s a Google Scholar search that can help find articles. It needs some human help, because many articles are about Avogadro’s number or similar concepts, rather than the program.
It likely is too strict to add software as second criterion as the numbers drop from 1090 to now 126 here. On the other hand, without constraint by journal but (fuzzy) requirement of the keywords Avogadro and software alone, Google scholar finds include records e.g. by the Journal of Materials Science, or Journal of Cheminformatics about NWChem and Avogadro as well as Avogadro’s seminal one you co-authored with about 5.5k citations since 2012 (or about 1 publication citing this work for every 25 recorded visitors of the open access publication).
@ghutchis Thanks. The fear of crashing that I instill in my students forces them to get good at saving their work, so I can live with it (although it’s true that autosave would be nice…)
Actually, although Avogadro2 would work for this course material, the main issue for my reasearch students is the molecular sculpting during optimisation. We deal with some heavily modified peptides with odd stereochemistries, so we still work with old Avogadro so that we can get hands-on during the optimisation. Any idea when it might make it into Avogadro2?
Hi, Here is a link to the LibreText Book Understanding Organic Chemistry Using Computation. It is written to perform necessary calculations using Orca while the visualization is done with Avogadro 1. I’m currently working on adapting the book to Orca 6 and Avogadro 2. If you have any suggestions please let me know. Understanding Organic Chemistry Through Computation (Boaz and Pearce) - Chemistry LibreTexts
Please let us know if you have suggestions as we (I) finish up Avogadro 2.
I’ll add the text to the list. Are you looking for suggestions / edits / help as you update it?
One suggestion might be use of xtb - I’ll be putting out an Avogadro + XTB bundle soon, including the plugin from @matterhorn103 - we’re building around it here at Pitt for teaching purposes.