Assessing electronic structure approaches for gas-ligand interactions in metal-organic frameworks: The CO 2 -benzene complex

Assessing electronic structure approaches for gas-ligand interactions in metal-organic frameworks: The CO ₂ -benzene complex

Jonathon Witte, Jeffrey B. Neaton, Martin Head-Gordon

Research output: Contribution to journal › Article › peer-review

20 Scopus citations

Original language	English (US)
Journal	The Journal of Chemical Physics
Volume	140
Issue number	10
DOIs	https://doi.org/10.1063/1.4867698
State	Published - 2014

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title = "Assessing electronic structure approaches for gas-ligand interactions in metal-organic frameworks: The CO 2 -benzene complex",

author = "Jonathon Witte and Neaton, {Jeffrey B.} and Martin Head-Gordon",

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T1 - Assessing electronic structure approaches for gas-ligand interactions in metal-organic frameworks: The CO 2 -benzene complex

AU - Witte, Jonathon

AU - Neaton, Jeffrey B.

AU - Head-Gordon, Martin

PY - 2014

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U2 - 10.1063/1.4867698

DO - 10.1063/1.4867698

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JO - The Journal of Chemical Physics

JF - The Journal of Chemical Physics

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