Yet another bond order calculation heuristic that still fail.
I describe this new heuristic, The Almost Binary Heuristic, in the “What is computed?” section of the bond order calculator at
The tool itself is described in the Bond Order Calculator Tool post at https://irthoughts.wordpress.com/2018/12/20/bond-order-calculator-tool/
The Almost Binary Heuristic is aimed at computing bond orders of diatomic species having up to 20 electrons in a straightforward manner. The heuristic can be used to reproduce the results of our bond order calculator tool.
I’ve included the php script that generates the so-called “phone number” trick for computing bond orders of diatomic species with up to 20 electrons.
Feel free to copy/rewrite the code with your favorite programming language or use it to build your own bond order calculator tool. Just please keep the credit lines in place. 🙂