geometries

https://doi.org/10.60893/figshare.jcp.26327065

dataset

posted on 2024-08-06, 12:06 authored by Montgomery Gray, John Herbert

cartesian coordinates for new systems created for this work

History

Related Materials

1.
DOI - Is supplement to Assessing the domain-based local pair natural orbital (DLPNO) approximation for non-covalent interactions in sizable supramolecular complexes

Usage metrics

Categories

Physical sciences

Keywords

local correlation intermolecular interactions coupled-cluster theory Moeller-Plesset perturbation theory supramolecular

Licence

Exports