Anisotropy of the elastic properties of crystalline cellulose Iβ from first principles density functional theory with Van der Waals interactions

Lattice dynamics, thermodynamics and elastic properties of monoclinic Li2CO3 from density functional theory

(2012) Shun-Li Shang et al.   ACTA MATERIALIA

Crystalline cellulose elastic modulus predicted by atomistic models of uniform deformation and nanoscale indentation

(2012) Xiawa Wu et al.   CELLULOSE

Comparison of Cellulose Iβ Simulations with Three Carbohydrate Force Fields

(2012) James F. Matthews et al.   Journal of Chemical Theory and Computation

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

Thermodynamic and mechanical properties of lanthanum–magnesium phases from density functional theory

(2011) J. Wróbel et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Size effects on the nanomechanical properties of cellulose I nanocrystals

(2011) Anahita Pakzad et al.   JOURNAL OF MATERIALS RESEARCH

Insights into Hydrogen Bonding and Stacking Interactions in Cellulose

(2011) R. Parthasarathi et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Ab Initio Study of Structure and Interconversion of Native Cellulose Phases

(2011) Tomáš Bučko et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Ab Initio Studies of Cellulose I: Crystal Structure, Intermolecular Forces, and Interactions with Water

(2011) Yan Li et al.   Journal of Physical Chemistry C

Uncertainty quantification in nanomechanical measurements using the atomic force microscope

(2011) Ryan Wagner et al.   NANOTECHNOLOGY

Looking at hydrogen bonds in cellulose

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

Improved Description of the Structure of Molecular and Layered Crystals: Ab Initio DFT Calculations with van der Waals Corrections

(2010) Tomáš Bučko et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Threefold Increase in the Young’s Modulus of Graphite Negative Electrode during Lithium Intercalation

(2010) Yue Qi et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Atomic Force Microscopy Characterization of Cellulose Nanocrystals

(2010) Roya R. Lahiji et al.   LANGMUIR

First-principles study of elastic and phonon properties of the heavy fermion compound CeMg

(2009) S L Shang et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

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

(2008) Yoshiharu Nishiyama et al.   BIOMACROMOLECULES

Ab-initiosimulations of materials using VASP: Density-functional theory and beyond

(2008) Jürgen Hafner   JOURNAL OF COMPUTATIONAL CHEMISTRY

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

(2008) Imke Diddens et al.   MACROMOLECULES

Prediction of Dislocation Cores in Aluminum from Density Functional Theory

(2008) C. Woodward et al.   PHYSICAL REVIEW LETTERS

The structure of celluloses

(2008) Masahisa Wada et al.   POWDER DIFFRACTION