Electronic structure and nuclear dynamics of chemiluminescence and bioluminescence.

Dnr:

SNIC 2017/1-366

Type:

SNAC Medium

Principal Investigator:

Roland Lindh

Affiliation:

Uppsala universitet

Start Date:

2017-10-01

End Date:

2018-10-01

Primary Classification:

10407: Teoretisk kemi

Webpage:

http://www.kemi.uu.se/forskning//teoretisk-kemi/

Allocation

Abstract

Molecular dynamics studies of chemiluminescent and bioluminescent processes with multi configurational electronic structure theory. Using Surface hopping technique and quantum molecular dynamics with Gaussian wave packets.