Sampling the protonation states: the pH-dependent UV absorption spectrum of a polypeptide dyad
Author:
Affiliation:
1. Aix-Marseille Univ
2. CNRS
3. ICR
4. Marseille
5. France
Abstract
When a chromophore interacts with several titratable molecular sites, the modeling of its photophysical properties requires to take into account all their probable protonation states.
Funder
Agence Nationale de la Recherche
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2018/CP/C8CP03557A
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