Isomerization reactions are very important in vision, as well as in many other chemical processes. When light is adsorbed, the double bond at carbon 11 in retinal (which is bonded to the protein opsin, forming rhodopsin) undergoes a conversion from the cis to the trans configuration. In this project you will use QC-Lab to examine the isomerization thermodynamics for a number of electronic structure methods and basis sets.

This laboratory uses the nanoHUB tool QC-Lab

This resource contains multiple documents for download. The Download link above will download a bundle of all documents as a zip archive file. To view a list of all documents click on the Supporting Docs tab.

Researchers should cite this work as follows:

• Christine M Aikens, George C. Schatz, Marcelo Carignano (2021), "Retinal Isomerization," https://nanohub.org/resources/35068.

  BibTex | EndNote

1. chemistry
2. computational chemistry
3. electronic structure
4. NCN Group - Chemistry
5. Protein
6. QC-Lab
7. quantum chemistry
8. thermodynamics