Condensed concepts

Rudolph Marcus died last week. He was 102. There is a nice obituary in The New York Times . He was best known for his theory of electron tra...

 Total I am giving a talk, "Effect of quantum nuclear motion on hydrogen bonds in complex molecular materials" at  Light-matter In...

This week I am giving two (virtual) talks at a meeting Light-matter Interactions from scratch: Theory and Experiments at the Border with Bio...

I was sad to hear last week that Professor  Noel Hush died at age 94. Noel [also known as Prof.] was a pioneer in theoretical chemistry and ...

I was very sad to learn last week of the tragic death of Seth Olsen in an accident. He was a former collaborator and colleague at UQ. Seth...

One of the key predictions of the  diabatic state picture of hydrogen bonding  is that there should be an excited electronic state ( a twin ...

When I learnt and later taught basic quantum mechanics I don't think the notion of energy level repulsion (or equivalently avoided cross...

I just posted a preprint Effect of hydrogen bonding on infrared absorption intensity  Bijyalaxmi Athokpam, Sai G. Ramesh, Ross H. McKenz...

It is amazing to me how much theoretical physics and chemistry ends with diagonalising a 2 x 2 Hermitian matrix! e.g. from Marcus-Hush theo...

What is excited state proton transfer (ESPT)? Consider a hydrogen bond A-H...B in a molecular system. Suppose the system absorbs a photon ...

This post concerns a basic but bold claim about the effects of a protein or solvent environment on chemical structure and reactivity. I am n...

Previously I have posted about the fascinating challenge of understanding singlet fission [and the inverse process of triplet-triplet annih...

Sharon Hammes-Schiffer gave an interesting talk in Telluride last week about coupled electron-proton transfer. [A couple of my earlier post...

I wish to highlight some common issues that occur in the construction, justification and parametrisation of effective Hamiltonians in both t...

Physical Chemistry Chemical Physics  has just published a series of four articles by Jeff Reimers, Laura McKemmish, Noel Hush , and myself. ...

There is a very nice article in the new journal, ACS Central Science Short Hydrogen Bonds and Proton Delocalization in Green Fluorescent Pr...

Nitrogen fluoride (NF) seems like a very simple molecule and you would think it would very well understood, particularly as it is small enou...

Previously I posted about  improper hydrogen bonds.  These are weak hydrogen bonds that have the unusual property that in the X-H...Y system...

I was quite excited when I saw the picture above when I recently visited Susanta Mahapatra . One of the key predictions of the diabatic...

This post concerns what may be the fast known internal conversion process in a chemical system, non-radiative d ecay times in the range of ...