In case you observe strange (long distance) bonds while animating a trajectory with VMD, this might be due to rearrangements of the molecule structure during the animation’s time frame. Sometimes, this behavior is not useful – especially, if you have lots of those conformation variations. In order to disable the […]
Daily archives: October 27, 2012
2 posts
Let’s assume, we are interested in deriving all allowed term symbols for any electron configuration. Normally, this involves drawing a lot of arrows and coping with possible combinations. The following description is rather terse. Throughout the following text, all electrons in the last unoccupied shell share the same quantum number […]