Validating empirical force fields for molecular-level simulation of cellulose dissolution

Computational and Theoretical Chemistry

Volumn 984, Issue , 2012, Pages 119-127

  Bazooyar, Faranak ^a,b   Momany, Frank A ^c   Bolton, Kim ^a  

^a UNIVERSITY OF BORÅS   (Sweden)

^b CHALMERS UNIVERSITY OF TECHNOLOGY   (Sweden)

^c NATIONAL CENTER FOR AGRICULTURAL UTILIZATION RESEARCH   (United States)

Author keywords

Cellobiose; Cellulose dissolution; COMPASS; DFT; First principles; Molecular simulation

Indexed keywords

EID: 84857782391     PISSN: 2210271X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.comptc.2012.01.020     Document Type: Article

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