Molecular dynamics simulation of mechanical properties and interaction energy of polythiophene/polyethylene/poly(p-phenylenevinylene) and CNTs composites

Interaction between single-walled carbon nanotubes and polymers: A molecular dynamics simulation study with reactive force field

(2012) Esmaeil Zaminpayma et al.   COMPUTATIONAL MATERIALS SCIENCE

Investigation of molecular interaction between single-walled carbon nanotubes and conjugated polymers

(2012) Esmaeil Zaminpayma et al.   POLYMER COMPOSITES

Molecular dynamics simulations of the interactions between β-cyclodextrin derivatives and single-walled carbon nanotubes

(2010) Jinyu Pang et al.   COMPUTATIONAL MATERIALS SCIENCE

Different factors’ effect on the SWNT-fluorocarbon resin interaction: A MD simulation study

(2010) Jie Xie et al.   COMPUTATIONAL MATERIALS SCIENCE

Investigation of the Interfacial Binding between Single-Walled Carbon Nanotubes and Heterocyclic Conjugated Polymers

(2010) Masumeh Foroutan et al.   JOURNAL OF PHYSICAL CHEMISTRY B

ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Hydrocarbon Oxidation

(2008) Kimberly Chenoweth et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Influence of Nanotube Chirality, Temperature, and Chemical Modification on the Interfacial Bonding between Carbon Nanotubes and Polyphenylacetylene

(2008) Huijuan Chen et al.   Journal of Physical Chemistry C