A density functional theory study on the shape of the primary cellulose microfibril in plants: effects of C6 exocyclic group conformation and H-bonding
Hui Yang, James D. Kubicki
Topics & Concepts
MicrofibrilCelluloseDensity functional theoryCell wallMaterials scienceCrystallographyMoleculeChain (unit)Group (periodic table)Computational chemistryChemistryOrganic chemistryPhysicsBiochemistryAstronomyAdvanced Cellulose Research StudiesPolysaccharides and Plant Cell WallsLignin and Wood Chemistry