Structure and bonding of water molecules in zeolite hosts: Benchmarking plane-wave DFT against crystal structure data

Zeitschrift fur Kristallographie - Crystalline Materials

Volumn 230, Issue 5, 2015, Pages 325-336

  Fischer, Michael ^a  

^a UNIVERSITY OF BREMEN   (Germany)

Author keywords

Benchmarking; Computational chemistry; Density functional theory; Water adsorption; Zeolites

Indexed keywords

EID: 84941343298     PISSN: 21944946     EISSN: 21967105     Source Type: Journal    
DOI: 10.1515/zkri-2014-1809     Document Type: Article

References (44)

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