DFT Functionals for Modeling of Polyethylene Chains Cross-Linked by Metal Atoms. DLPNO–CCSD(T) Benchmark Calculations

This is a publication. If there is no link to the publication on this page, you can try the pre-formated search via the search engines listed on this page.

Authors: Martin Blaško, Lukáš F. Pašteka, Miroslav Urban

Journal title: The Journal of Physical Chemistry A

Journal number: 125 (34)

Journal publisher: American Chemical Society

Published year: 2021

Published pages: 7382-7395

DOI identifier: 10.1021/acs.jpca.1c04793

ISSN: 1089-5639