Performance of GFN1-xTB for periodic optimization of metal organic frameworks. (2022)
Attributed to:
Origin and Mechanisms of Flexibility in Molecular Framework Materials: A Data-driven, Graph Theoretical Approach
funded by
EPSRC
Abstract
No abstract provided
Bibliographic Information
Digital Object Identifier: http://dx.doi.org/10.1039/d2cp00184e
PubMed Identifier: 35451436
Publication URI: http://europepmc.org/abstract/MED/35451436
Type: Journal Article/Review
Volume: 24
Parent Publication: Physical chemistry chemical physics : PCCP
Issue: 18
ISSN: 1463-9076