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

Nanocelluloses: A New Family of Nature-Based Materials

(2011) Dieter Klemm et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

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

(2011) Michael Santiago Cintrón et al.   CELLULOSE

A molecular dynamics study of the thermal response of crystalline cellulose Iβ

(2011) Qiong Zhang et al.   CELLULOSE

Cellulose nanomaterials review: structure, properties and nanocomposites

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

High-Temperature Behavior of Cellulose I

(2011) James F. Matthews et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Torsional Entropy at the Origin of the Reversible Temperature-Induced Phase Transition of Cellulose

(2011) Pan Chen et al.   MACROMOLECULES

Cellulose Biocomposites—From Bulk Moldings to Nanostructured Systems

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

Nanostructure of cellulose microfibrils in spruce wood

(2011) A. N. Fernandes et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Looking at hydrogen bonds in cellulose

(2010) Yoshiharu Nishiyama et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Simulation studies of the insolubility of cellulose

(2010) Malin Bergenstråhle et al.   CARBOHYDRATE RESEARCH

Puckering free energy of pyranoses: A NMR and metadynamics-umbrella sampling investigation

(2010) E. Autieri et al.   JOURNAL OF CHEMICAL PHYSICS

A reoptimized GROMOS force field for hexopyranose-based carbohydrates accounting for the relative free energies of ring conformers, anomers, epimers, hydroxymethyl rotamers, and glycosidic linkage conformers

(2010) Halvor S. Hansen et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

X-ray diffraction study on the thermal expansion behavior of cellulose Iβ and its high-temperature phase

(2010) Masahisa Wada et al.   POLYMER DEGRADATION AND STABILITY

Elastic Modulus of Single Cellulose Microfibrils from Tunicate Measured by Atomic Force Microscopy

(2009) Shinichiro Iwamoto et al.   BIOMACROMOLECULES

Absolute Single-Molecule Entropies from Quasi-Harmonic Analysis of Microsecond Molecular Dynamics: Correction Terms and Convergence Properties

(2009) Riccardo Baron et al.   Journal of Chemical Theory and Computation

CHARMM Additive All-Atom Force Field for Glycosidic Linkages between Hexopyranoses

(2009) Olgun Guvench et al.   Journal of Chemical Theory and Computation

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

(2008) Yoshiharu Nishiyama et al.   BIOMACROMOLECULES

An estimation of the Young’s modulus of bacterial cellulose filaments

(2008) Y.-C. Hsieh et al.   CELLULOSE

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

Additive empirical force field for hexopyranose monosaccharides

(2008) Olgun Guvench et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Anisotropic Elastic Properties of Cellulose Measured Using Inelastic X-ray Scattering

(2008) Imke Diddens et al.   MACROMOLECULES