Nalaganje...

First Principles Prediction of Wavelength-Dependent Product Quantum Yields

We present a method to predict wavelength-dependent product quantum yields (PQYs) for photochemical reactions and applied it to Z/E-isomerization and several ring-closing reactions of Z-2,5-dimethyl-1,3,5-hexatriene and truncated previtamin D. Using branching ratios from surface hopping molecular dy...

Popoln opis

Shranjeno v:
Bibliografske podrobnosti
izdano v:J Phys Chem Lett
Main Authors: Thompson, Travis, Tapavicza, Enrico
Format: Artigo
Jezik:Inglês
Izdano: 2018
Teme:
Online dostop:https://ncbi.nlm.nih.gov/pmc/articles/PMC6211794/
https://ncbi.nlm.nih.gov/pubmed/30048134
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpclett.8b02048
Oznake: Označite
Brez oznak, prvi označite!