Abstract
Changes: Added an interface to Serenity that provides a map, mapping orbitals between multiple structures. This map can be used to ensure a consistent CAS along reaction coordinates.
Permanent link
https://doi.org/10.3929/ethz-b-000597572External links
Publisher
CERNOrganisational unit
03736 - Reiher, Markus / Reiher, Markus
More
Show all metadata
ETH Bibliography
yes
Altmetrics