AuToGraFS: Automatic topological generator for framework structures

Journal of Physical Chemistry A

Volumn 118, Issue 40, 2014, Pages 9607-9614

  Addicoat, Matthew A ^a   Coupry, Damien E ^a   Heine, Thomas ^a  

^a JACOBS UNIVERSITY BREMEN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL CHEMISTRY; CRYSTALLINE MATERIALS; GRAPHICAL USER INTERFACES; ORGANOMETALLICS;

COMBINATORIAL EXPLOSION; COMPUTATIONAL INVESTIGATION; COVALENT ORGANIC FRAMEWORKS; FRAMEWORK STRUCTURES; METALORGANIC FRAMEWORKS (MOFS); OPTIMIZED STRUCTURES; POROUS POLYMERS; STRUCTURAL MODELS;

TOPOLOGY;

EID: 84907900856     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp507643v     Document Type: Article

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