Validating software and force fields for predicting the mechanical and physical properties of poly(bisbenzoxazine)s

Molecular Simulation

Volumn 34, Issue 10-15, 2008, Pages 1259-1266

  Hall, S A ^a   Hamerton, I ^a   Howlin, B J ^a   Mitchell, A L ^a  

^a UNIVERSITY OF SURREY   (United Kingdom)

Author keywords

Bisbenzoxazines; Materials Studio; Molecular modelling; Thermoset

Indexed keywords

ABS RESINS; DYNAMICS; FORECASTING; MECHANICAL PROPERTIES; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; MOLECULAR MODELING; MONOMERS; POLYMERS; QUANTUM CHEMISTRY; THERMOSETS; VIBRATIONS (MECHANICAL);

BISBENZOXAZINES; EMPIRICAL DATUMS; EMPIRICAL VALUES; FORCE FIELDS; MEASURED VALUES; MECHANICAL AND PHYSICAL PROPERTIES; MOLECULAR MECHANICALS; MOLECULAR MODELLING; POLIES (BISBENZOXAZINE); REASONABLE AGREEMENTS; YOUNG'S MODULUS;

STUDIOS;

EID: 56749157790     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927020802534835     Document Type: Article

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