1,3,5-Tris(4-bromophenyl)benzene prenucleation clusters from meta-dynamics

Acta Crystallographica Section C: Structural Chemistry

Volumn 70, Issue 2, 2014, Pages 132-136

  Salvalaglio, Matteo ^a   Giberti, Federico ^a,b   Parrinello, Michele ^a,b  

^a ETH ZURICH   (Switzerland)

^b UNIVERSITY OF LUGANO   (Switzerland)

Author keywords

1,3,5 tris(4 bromophenyl)benzene; 3BrY; clusters; computational materials discovery; metadynamics; nucleation; thermal expansion coefficient

Indexed keywords

CRYSTALLINE MATERIALS; DIMERS; MOLECULAR DYNAMICS; NUCLEATION;

3BRY; CLUSTERS; COMPUTATIONAL MATERIALS; METADYNAMICS; THERMAL EXPANSION COEFFICIENTS;

BENZENE;

EID: 84902083926     PISSN: None     EISSN: 20532296     Source Type: Journal    
DOI: 10.1107/S2053229613026946     Document Type: Article

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