Water adsorption on a copper formate paddlewheel model of CuBTC: A comparative MP2 and DFT study

Chemical Physics Letters

Volumn 587, Issue , 2013, Pages 7-13

  Toda, Jordi ^a,b   Fischer, Michael ^c   Jorge, Miguel ^d   Gomes, José R B ^a  

^a UNIVERSITY OF AVEIRO   (Portugal)

^b UNIVERSITY OF PORTO   (Portugal)

^c UNIVERSITY COLLEGE LONDON   (United Kingdom)

^d UNIVERSITY OF STRATHCLYDE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

COMPLETE BASIS SET LIMIT; COMPUTATIONAL RESOURCES; COPPER FORMATE; CORRELATION CONSISTENT BASIS SETS; EXCHANGE-CORRELATION FUNCTIONALS; GEOMETRICAL DATA; METAL ORGANIC FRAMEWORK; WATER ADSORPTION;

CRYSTALLINE MATERIALS; JAVA PROGRAMMING LANGUAGE;

ADSORPTION;

EID: 84886719245     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2013.09.049     Document Type: Article

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