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 (Q43535201)
scientific article published on 8 November 2013
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(P31) (Q13442814)
(P50) (Q77366892)
(P304) 12590-12600
(P407) (Q1860)
(P433) 47
(P478) 117
(P577) Friday, November 8, 2013
(P1433) (Q745688)
(P1476) "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" (language: en)
(P2093) Martin Walker
Andrew J A Harvey
Ananya Sen
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description scientific article published on 8 November 2013

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