Publication Date:
2014-03-13
Description:
Author(s): Georg Kastlunger and Robert Stadler There are various quantum chemical approaches for an ab initio description of transfer integrals within the framework of Marcus theory in the context of electron transfer reactions. In our paper, we aim to calculate transfer integrals in redox-active single molecule junctions, where we focus on the ... [Phys. Rev. B 89, 115412] Published Wed Mar 12, 2014
Keywords:
Surface physics, nanoscale physics, low-dimensional systems
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics