Threads

Themes

Fields say what an essay is about. Themes say what it rhymes with — the motifs that keep turning up in places that have no business being related.

Say what it encloses

An orbital picture is a contour at a level somebody chose, and almost no source says which. Every one here is drawn at a level found by integrating the density, and states the fraction it encloses.

4 essays

Exactly zero

Where symmetry forbids an interaction the overlap is not small, it is zero. Computing it and finding arithmetic noise is a different kind of statement from computing it and finding a small number.

2 essays

A basis is not a thing

Hybrid orbitals, localised bonds and canonical molecular orbitals are related by transformations that leave every observable unchanged. Arguing about which is real is arguing about a coordinate system.

5 essays

Symmetry settles it

Whether a molecule can have a dipole, or be chiral, or show a particular spectral line, follows from its point group alone — with no reference to what the bonds are made of.

7 essays

One electron only

Every orbital drawn here is a hydrogen-like solution. A many-electron atom has no exact orbitals at all, and keeping that in view is the difference between a model and a picture of reality.

3 essays

Taught confidently, and wrong

This subject has an unusual number of explanations that are memorable, widespread and false. Each is stated fairly here and then tested against a computation rather than an opinion.

12 essays

Counted, not quoted

Node counts, bond angles, overlap integrals and point groups are all computed while the figure is drawn. None of them is a number recalled from a table.

11 essays