Sorption of H2to open metal sites in a metal-organic framework: A symmetry-adapted perturbation theory analysis

Journal of Physical Chemistry A

Volumn 118, Issue 35, 2014, Pages 7411-7417

  Goings, Joshua J ^a,b   Ohlsen, Suzanna M ^a   Blaisdell, Kara M ^a   Schofield, Daniel P ^a  

^a SEATTLE PACIFIC UNIVERSITY   (United States)

^b UNIVERSITY OF WASHINGTON   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTALLINE MATERIALS; JAVA PROGRAMMING LANGUAGE; MOLECULAR PHYSICS; NUMERICAL METHODS; ORGANIC POLYMERS; ORGANOMETALLICS; PERTURBATION TECHNIQUES;

COUPLED CLUSTERS; GAS MOLECULES; INTERACTION ENERGIES; METAL CENTERS; METAL ORGANIC FRAMEWORK; METALORGANIC FRAMEWORKS (MOFS); SYMMETRY ADAPTED PERTURBATION THEORY; UNSATURATED METALS;

METALS;

EID: 84949116444     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp412779q     Document Type: Article

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