Comparison of Cellulose Ib Simulations with Three Carbohydrate Force Fields

Michael Himmel, Michael Crowley, John Brady, Malin Bergenstråhle-Wohlert, Gregg Beckham, James Matthews

Research output: Contribution to journalArticlepeer-review

Original languageAmerican English
Pages (from-to)735-748
Number of pages14
JournalJournal of Chemical Theory and Computation
Volume8
Issue number2
DOIs
StatePublished - 2012

NREL Publication Number

  • NREL/JA-2700-53204

Keywords

  • carbohydrate
  • cellulose
  • energy storage
  • simulation

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