Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
The ANI-1ccx and ANI-1x Data Sets, Coupled-Cluster and Density Functional Theory Properties for Molecules
, Authors:
Justin S. Smith, Roman Zubatyuk, Benjamin T. Nebgen, Nicholas Lubbers, Kipton Barros, Adrian Roitberg, Olexandr Isayev, Sergei Tretiak
Version 2 posted 28 April 2020
1,798
Downloads