Tomorrow I am giving a seminar, "Essential state models for fluorescent protein chromophores and methine dyes," in the Chemistry department at Parma University, Italy. Here is the current version of the slides.
My host is Anna Painelli. Over the past few years she and her collaborators have done some very nice work showing that the optical properties of a diverse range of complex chromophores can be described by "essential state models" that are effective Hamiltonians acting on a just a few valence bond states. These models include dominant molecular vibrations and the effect of the solvent.
For example, an earlier post mentioned their work on crystal violet.
This work nicely complements work done by Seth Olsen giving a rigorous quantum chemical justification for such essential state models, as in this J. Chem. Phys. paper.
Subscribe to:
Post Comments (Atom)
Thermodynamics and emergence
Novelty. Temperature and entropy are emergent properties. Classically, they are defined by the zeroth and second laws of thermodynamics, re...
-
Is it something to do with breakdown of the Born-Oppenheimer approximation? In molecular spectroscopy you occasionally hear this term thro...
-
I welcome discussion on this point. I don't think it is as sensitive or as important a topic as the author order on papers. With rega...
-
Nitrogen fluoride (NF) seems like a very simple molecule and you would think it would very well understood, particularly as it is small enou...
No comments:
Post a Comment