Comparison of the interface between water and four surfaces of native crystalline cellulose by molecular dynamics simulations

Crystalline Cellulose ◽

Revealing the Interaction Mechanism Stabilizing Crystalline Cellulose Iβ by Molecular Dynamics Simulations

Journal of Fiber Bioengineering and Informatics ◽

10.3993/jfbim00267 ◽

2017 ◽

Vol 10 (3) ◽

pp. 141-154

Author(s):

Xue-Wei Jiang

Keyword(s):

Molecular Dynamics ◽

Interaction Mechanism ◽

Crystalline Cellulose ◽

Cellulose Iβ ◽

Revealing the Weak Interaction Mechanism of Crystalline Cellulose Iα by Molecular Dynamics Simulations

Journal of Fiber Bioengineering and Informatics ◽

10.3993/jfbim00324 ◽

2019 ◽

Vol 12 (4) ◽

pp. 167-178

Author(s):

Hong-Hui Zhang ◽

Keyword(s):

Molecular Dynamics ◽

Weak Interaction ◽

Interaction Mechanism ◽

Crystalline Cellulose ◽

Cellulose Iα ◽

Crystalline Cellulose under Pyrolysis Conditions: The Structure–Property Evolution via Reactive Molecular Dynamics Simulations

Journal of Chemical & Engineering Data ◽

10.1021/acs.jced.9b00701 ◽

2019 ◽

Vol 65 (2) ◽

pp. 360-372 ◽

Cited By ~ 1

Author(s):

Qi Qiao ◽

Xiaobao Li ◽

Liangliang Huang

Keyword(s):

Molecular Dynamics ◽

Crystalline Cellulose ◽

Structure Property ◽

Reactive Molecular Dynamics ◽

Molecular Dynamics Simulations of the Adhesion of a Thin Annealed Film of Oleic Acid onto Crystalline Cellulose

Biomacromolecules ◽

10.1021/bm500088c ◽

2014 ◽

Vol 15 (4) ◽

pp. 1476-1483 ◽

Cited By ~ 10

Author(s):

Mir A. A. R. Quddus ◽

Orlando J. Rojas ◽

Melissa A. Pasquinelli

Keyword(s):

Molecular Dynamics ◽

Oleic Acid ◽

Annealed Film ◽

Crystalline Cellulose ◽

Molecular Dynamics Simulations of the Thermal Stability of Crystalline Cellulose Surfaces Coated with Oleic Acid

Functional Materials from Renewable Sources - ACS Symposium Series ◽

10.1021/bk-2012-1107.ch010 ◽

2012 ◽

pp. 191-208 ◽

Cited By ~ 1

Author(s):

Mir A. A. R. Quddus ◽

Orlando J. Rojas ◽

Melissa A. Pasquinelli

Keyword(s):

Molecular Dynamics ◽

Thermal Stability ◽

Oleic Acid ◽

Crystalline Cellulose ◽

Dynamics Simulations ◽

Thermal Stability Of

Structure of phosphorus-selenium glasses: results from ab initio molecular dynamics simulations

Molecular Physics ◽

10.1080/002689700162045 ◽

2000 ◽

Vol 98 (11) ◽

pp. 701-707

Author(s):

Alessandro Sergi, Mauro Ferrario, Francesco Bu

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Ab Initio Molecular Dynamics ◽

Tracer diffusion in perfectly aligned liquid crystalline phases Kinetic theory and molecular dynamics simulations

Molecular Physics ◽

10.1080/00268979709482789 ◽

1997 ◽

Vol 91 (6) ◽

pp. 993-1003 ◽

Cited By ~ 1

Author(s):

ANJALI KHARE ◽

DAVID KOFKE ◽

GLENN EVANS

Keyword(s):

Molecular Dynamics ◽

Kinetic Theory ◽

Liquid Crystalline ◽

Tracer Diffusion ◽

Crystalline Phases ◽

Liquid Crystalline Phases ◽

ERRATUM Molecular dynamics simulations of liquid crystal phases using atomistic potentials

Molecular Physics ◽

10.1080/002689798167430 ◽

1998 ◽

Vol 95 (1) ◽

pp. 121-121

Author(s):

CARL MCBRIDE MARK R. WILSON JUDITH A. K.

Keyword(s):

Molecular Dynamics ◽

Liquid Crystal ◽

Crystal Phases ◽

Dynamics Simulations ◽

Liquid Crystal Phases

Nonequilibrium Molecular Dynamics Simulations of 3-Methylhexane: The Effect of Inter- and Intramolecular Potential Models on Simulated Viscosity

The Journal of Physical Chemistry A ◽

10.1021/jp971476g ◽

1997 ◽

Vol 101 (27) ◽

pp. 5026-5026

Author(s):

Maija Lahtela ◽

Tapani A. Pakkanen ◽

Richard L. Rowley

Keyword(s):

Molecular Dynamics ◽

Nonequilibrium Molecular Dynamics ◽

Potential Models ◽

Assessment of all-atom potentials for modeling membranes: molecular dynamics simulations of solid and liquid alkanes and crystals of phospholipid fragments

Journal de Chimie Physique ◽

10.1051/jcp/1997941482 ◽

1997 ◽

Vol 94 ◽

pp. 1482-1502 ◽

Cited By ~ 27

Author(s):

DJ Tobias ◽

K Tu ◽

ML Klein

Keyword(s):

Molecular Dynamics ◽

Dynamics Simulations ◽

Liquid Alkanes