In silico design of three-dimensional porous covalent organic frameworks via known synthesis routes and commercially available species

Journal of Physical Chemistry C

Volumn 118, Issue 41, 2014, Pages 23790-23802

  Martin, Richard L ^a   Simon, Cory M ^b   Medasani, Bharat ^a   Britt, David K ^a   Smit, Berend ^c   Haranczyk, Maciej ^a  

^a LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

^c EPFL   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTALLINE MATERIALS; DATABASE SYSTEMS; ELECTRONIC STRUCTURE; METHANE; ORGANOMETALLICS; POLYMERS; POROUS MATERIALS;

CHEMICAL BARRIERS; COVALENT ORGANIC FRAMEWORKS; CRYSTALLINITIES; ELECTRONIC STRUCTURE CALCULATIONS; METALORGANIC FRAMEWORKS (MOFS); MOLECULAR SIMULATIONS; ORGANIC CHEMISTRY; SYNTHETIC ROUTES;

DESIGN;

EID: 84949115498     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp507152j     Document Type: Article

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