Simulating hydrogen-bond clustering and phase behaviour of imidazole oligomers

Molecular Physics

Volumn 110, Issue 9-10, 2012, Pages 957-966

  Harvey, Jacob A ^a   Basak, Dipankar ^a   Venkataraman, Dhandapani ^a   Auerbach, Scott M ^a  

^a UNIVERSITY OF MASSACHUSETTS   (United States)

Author keywords

clusters; hydrogen bonding; imidazole; oligomers

Indexed keywords

AB INITIO CALCULATIONS; APPARENT ACTIVATION ENERGY; BOND LIFETIME; CLUSTER SIZES; CLUSTERS; CRYSTALLINE SOLIDS; GLASSY PHASIS; GLASSY SOLIDS; HYDROGEN BOND NETWORKS; IMIDAZOLE; IMIDAZOLE GROUP; MEAN CLUSTER SIZE; ROTATIONAL BARRIERS;

CRYSTALLINE MATERIALS; GLASS; LIQUIDS; MOLECULAR DYNAMICS; OLIGOMERS; PLANTS (BOTANY); SOLVENT EXTRACTION;

HYDROGEN BONDS;

EID: 84861885598     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2012.680515     Document Type: Conference Paper

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