Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
Electronic complexity of active site models for FeNC catalysts: a systematic study of truncation effects in molecular and periodic models
, Authors:
Charlotte Gallenkamp, Young-Joon Song, Niklas von Rhein, Genís Lleopart Motis, Roser Valentí, Vera Krewald
Version 1 posted 03 March 2025
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