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

Research output: Contribution to journalArticlepeer-review

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Colleges, School and Institutes

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Original languageUndefined/Unknown
JournalJournal of Physical Chemistry A
Publication statusPublished - 2013