A hybrid MP2/planewave-DFT scheme for large chemical systems: Proton jumps in zeolites

Chemical Physics Letters

Volumn 387, Issue 4-6, 2004, Pages 388-394

  Tuma, Christian ^a   Sauer, Joachim ^a  

^a HUMBOLDT UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

PROTON; WATER; ZEOLITE;

ADSORPTION; ARTICLE; CALCULATION; DENSITY FUNCTIONAL THEORY; ELECTRON; ENERGY; HEAT; HYDRATION; MATHEMATICAL COMPUTING; MATHEMATICS; MOLECULE; PREDICTION; STATISTICAL SIGNIFICANCE;

EID: 1642351821     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2004.02.056     Document Type: Article

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