DFT calculations of molecules undergoing excited state proton transfer

Dnr:

SNIC 2015/6-131

Type:

SNAC Small

Principal Investigator:

Burkhard Zietz

Affiliation:

Uppsala universitet

Start Date:

2015-09-18

End Date:

2018-05-11

Primary Classification:

10402: Fysikalisk kemi

Webpage:

Allocation

Abstract

Symmetric molecules that can undergo single or double excited state proton transfer are calculated and the results combined with information from spectroscopic measurements.