Charge constrained density functional molecular dynamics for simulation of condensed phase electron transfer reactions

Titelangaben

Oberhofer, Harald ; Blumberger, Jochen:
Charge constrained density functional molecular dynamics for simulation of condensed phase electron transfer reactions.
In: The Journal of Chemical Physics. Bd. 131 (2009) . - 064101.
ISSN 0021-9606
DOI: https://doi.org/10.1063/1.3190169