Performance of GFN1-xTB for periodic optimization of Metal Organic Frameworks (2022)

First Author: Nurhuda M

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/10.26434/chemrxiv-2022-k5m14

Publication URI: http://dx.doi.org/10.26434/chemrxiv-2022-k5m14

Type: Preprint