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Accurate predictions of chemical shifts with the rSCAN and r 2 SCAN mGGA exchange-correlation functionals (2025)

First Author: Yates J

Attributed to: Collaborative Computational Project in NMR Crystallography funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

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

Publication URI: http://dx.doi.org/10.1039/d4fd00142g

Type: Journal Article/Review

Parent Publication: Faraday Discussions