Quantum chemical calculations
Title: Quantum chemical calculations
SNIC Project: SNIC 2019/7-46
Project Type: SNIC Small Compute
Principal Investigator: Nessima Salhi <nessima.salhi@kemi.uu.se>
Affiliation: Uppsala universitet
Duration: 2019-07-01 – 2020-07-01
Classification: 10407
Keywords:

Abstract

We are performing quantum chemical calculations on radicals in order to study the geometrical structure and the ESR spectrum.