Ab Initio Study of Structure and Interconversion of Native Cellulose Phases-Reference-Cited by-同舟云学术

Ab Initio Study of Structure and Interconversion of Native Cellulose Phases

Published:2011-08-18 Issue:35 Volume:115 Page:10097-10105
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Bučko Tomáš¹²³,Tunega Daniel²⁴,Ángyán János G.⁵,Hafner Jürgen⁶

Affiliation:

1. Department of Physical and Theoretical Chemistry, Faculty of Natural Sciences, Comenius University, Mlynská Dolina, SK-84215 Bratislava, Slovakia

2. Slovak Academy of Sciences, Institute of Inorganic Chemistry, Dubravska cesta 9, SK-84236 Bratislava, Slovakia

3. Fakultät für Physik and Center for Computational Materials Science, Universität Wien, Sensengasse 8/12, Wien 1090, Austria

4. Institute for Soil Research, University of Natural Resources and Life Sciences, Peter-Jordan-Strasse 82, A-1190 Vienna, Austria

5. Équipe de Modélisation Quantique et Cristallographique, CRM2, Institut Jean Barriol, UMR 7036, CNRS—Nancy-Université, F-54506 Vandoeuvre-lès-Nancy, France

6. Universität Wien, Wien 1090, Austria

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp205827y

Reference35 articles.

1. Pérez, S.; Mackie, B.Structure and morphology of cellulose.http://glyco3d.cermav.cnrs.fr/glyco3d/lessons/cellulose/index.html, 2001.

2. Crystal Structure and Hydrogen-Bonding System in Cellulose Iβ from Synchrotron X-ray and Neutron Fiber Diffraction

3. Crystal Structure and Hydrogen Bonding System in Cellulose Iα from Synchrotron X-ray and Neutron Fiber Diffraction

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

5. Generalized Gradient Approximation Made Simple

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