Evaluation of hydrogen bond networks in cellulose Iβ and II crystals using density functional theory and Car-Parrinello molecular dynamics

Evaluation of hydrogen bond networks in cellulose Iβ and II crystals using density functional theory and Car-Parrinello molecular dynamics

Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Carbohydrate Research - Volume 449, 8 September 2017, Pages 103-113

Daichi Hayakawa, Yoshiharu Nishiyama, Karim Mazeau, Kazuyoshi Ueda,