Water dynamics in metal-organic frameworks: Effects of heterogeneous confinement predicted by computational spectroscopy

Journal of Physical Chemistry Letters

Volumn 5, Issue 16, 2014, Pages 2897-2902

  Medders, Gregory R ^a   Paesani, Francesco ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

2DIR; flexible; infrared spectroscopy; molecular dynamics; polarizable; two dimensional

Indexed keywords

HYDROGEN BONDS; INFRARED SPECTROSCOPY; MOLECULAR DYNAMICS; MOLECULES;

2DIR; COMPUTATIONAL SPECTROSCOPY; FLEXIBLE; HYDROGEN BOND DYNAMICS; METAL ORGANIC FRAMEWORK; ORIENTATIONAL DYNAMICS; POLARIZABLE; WATER-WATER INTERACTIONS;

CRYSTALLINE MATERIALS;

EID: 84906517287     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz5013998     Document Type: Article

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