📣 Help Shape the Future of UKRI's Gateway to Research (GtR)

We're improving UKRI's Gateway to Research and are seeking your input! If you would be interested in being interviewed about the improvements we're making and to have your say about how we can make GtR more user-friendly, impactful, and effective for the Research and Innovation community, please email gateway@ukri.org.

Accurate predictions of chemical shifts with the rSCAN and r2SCAN mGGA exchange-correlation functionals. (2025)

First Author: Yates JR

Attributed to: Support for the UKCP consortium funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1039/d4fd00142g

PubMed Identifier: 39291358

Publication URI: http://europepmc.org/abstract/MED/39291358

Type: Journal Article/Review

Volume: 255

Parent Publication: Faraday discussions

ISSN: 1359-6640