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Performance of M06, M06-2X, and M06-HF density functionals for conformationally flexible anionic clusters: M06 functionals perform better than B3LYP for a model system with dispersion and ionic hydrogen-bonding interactions. (2013)

First Author: Walker M

Attributed to: EPSRC UK National Service for Computational Chemistry Software funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/jp408166m

PubMed Identifier: 24147965

Publication URI: http://europepmc.org/abstract/MED/24147965

Type: Journal Article/Review

Volume: 117

Parent Publication: The journal of physical chemistry. A

Issue: 47

ISSN: 1089-5639