A copy of this work was available on the public web and has been preserved in the Wayback Machine. The capture dates from 2022; you can also visit the original URL.
The file type is application/pdf.
Performance of GFN1-xTB for periodic optimization of Metal Organic Frameworks
2022
Physical Chemistry, Chemical Physics - PCCP
Preserved Fulltext
Tight-binding approaches bridge the gap between force field methods and Density Functional Theory (DFT). Density Functional Tight Binding (DFTB) has been employed for a wide range of systems containing up...
doi:10.1039/d2cp00184e
pmid:35451436
fatcat:w7xoefbjzvfgxoko5eq32me3d4