Back to Search Start Over

A comparison of methods for theoretical photochemistry: Applications, successes and challenges

Authors :
Nicholas S. Hill
Michelle L. Coote
Publication Year :
2019
Publisher :
Elsevier, 2019.

Abstract

Herein we highlight recent studies and active areas of interest in the ongoing challenge to model photochemical processes in a wide variety of molecules. We also discuss recent significant methodological improvements and developments that may aid future investigations. Studies using the wide range of techniques available in modern electronic structure software packages have been included, with their successes and shortcomings forming part of the discussion. This study should therefore aid in the design of future computational studies.

Details

Database :
OpenAIRE
Accession number :
edsair.doi...........79216aeedd40904873795b9537bab798