Ab InitioBased conformational study of the crystalline α-chitin

Direct Determination of the Hydrogen Bonding Arrangement in Anhydrous β-Chitin by Neutron Fiber Diffraction

(2011) Daisuke Sawada et al.   BIOMACROMOLECULES

Examination of the α-Chitin Structure and Decrystallization Thermodynamics at the Nanoscale

(2011) Gregg T. Beckham et al.   JOURNAL OF PHYSICAL CHEMISTRY B

X-ray Structure of Anhydrous β-Chitin at 1 Å Resolution

(2011) Yoshiharu Nishiyama et al.   MACROMOLECULES

The object-oriented DFT program library S/PHI/nX

(2010) S. Boeck et al.   COMPUTER PHYSICS COMMUNICATIONS

Crystal analysis and high-resolution imaging of microfibrillar α-chitin from Phaeocystis

(2010) Yu Ogawa et al.   JOURNAL OF STRUCTURAL BIOLOGY

Robustness and optimal use of design principles of arthropod exoskeletons studied by ab initio-based multiscale simulations

(2010) S. Nikolov et al.   Journal of the Mechanical Behavior of Biomedical Materials

Revealing the Design Principles of High-Performance Biological Composites Using Ab initio and Multiscale Simulations: The Example of Lobster Cuticle

(2009) Svetoslav Nikolov et al.   ADVANCED MATERIALS

Revisit of α-Chitin Crystal Structure Using High Resolution X-ray Diffraction Data

(2009) Pawel Sikorski et al.   BIOMACROMOLECULES

Crystal transition between hydrate and anhydrous β-chitin monitored by synchrotron X-ray fiber diffraction

(2009) Kayoko Kobayashi et al.   CARBOHYDRATE POLYMERS

Popular Kohn-Sham density functionals strongly overestimate many-body interactions in van der Waals systems

(2008) Alexandre Tkatchenko et al.   PHYSICAL REVIEW B