Role of hydrogen bonding in cellulose deformation: the leverage effect analyzed by molecular modeling

Molecular deformation mechanisms in cellulose allomorphs and the role of hydrogen bonds

(2015) Cyrus Djahedi et al.   CARBOHYDRATE POLYMERS

How Cellulose Stretches: Synergism between Covalent and Hydrogen Bonding

(2014) Clemens M. Altaner et al.   BIOMACROMOLECULES

GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit

(2013) Sander Pronk et al.   BIOINFORMATICS

Sum-Frequency-Generation Vibration Spectroscopy and Density Functional Theory Calculations with Dispersion Corrections (DFT-D2) for Cellulose Iα and Iβ

(2013) Christopher M. Lee et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Deformation of cellulose nanocrystals: entropy, internal energy and temperature dependence

(2012) Jakob Wohlert et al.   CELLULOSE

Rationalizing cellulose (in)solubility: reviewing basic physicochemical aspects and role of hydrophobic interactions

(2012) Bruno Medronho et al.   CELLULOSE

Dissolution Behavior of Different Celluloses

(2011) Ute Henniges et al.   BIOMACROMOLECULES

Young’s modulus calculations for cellulose Iβ by MM3 and quantum mechanics

(2011) Michael Santiago Cintrón et al.   CELLULOSE

Cellulose nanomaterials review: structure, properties and nanocomposites

(2011) Robert J. Moon et al.   CHEMICAL SOCIETY REVIEWS

Force Field Benchmark of Organic Liquids: Density, Enthalpy of Vaporization, Heat Capacities, Surface Tension, Isothermal Compressibility, Volumetric Expansion Coefficient, and Dielectric Constant

(2011) Carl Caleman et al.   Journal of Chemical Theory and Computation

Cellulose Biocomposites—From Bulk Moldings to Nanostructured Systems

(2011) Lars A. Berglund et al.   MRS BULLETIN

Cellulose structural arrangement in relation to spectral changes in tensile loading FTIR

(2009) Lennart Salmén et al.   CELLULOSE

Neutron Crystallography, Molecular Dynamics, and Quantum Mechanics Studies of the Nature of Hydrogen Bonding in Cellulose Iβ

(2008) Yoshiharu Nishiyama et al.   BIOMACROMOLECULES