Parameterization of electrostatic interactions for molecular dynamics simulations of heterocyclic polymers

Influence of the electrostatic interactions on thermophysical properties of polyimides: Molecular-dynamics simulations

(2014) Stanislav G. Falkovich et al.   JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS

Molecular Dynamics Study of Interface Structure in Composites Comprising Surface-Modified SiO2Nanoparticles and a Polyimide Matrix

(2013) P. V. Komarov et al.   MACROMOLECULAR THEORY AND SIMULATIONS

SWCNT Induced Crystallization in an Amorphous All-Aromatic Poly(ether imide)

(2013) Maruti Hegde et al.   MACROMOLECULES

Microsecond Atomic-Scale Molecular Dynamics Simulations of Polyimides

(2013) S. V. Lyulin et al.   MACROMOLECULES

Evaluation of the characteristic equilibration times of bulk polyimides via full-atomic computer simulation

(2013) V. M. Nazarychev et al.   POLYMER SCIENCE SERIES A

Thermal properties of bulk polyimides: insights from computer modeling versus experiment

(2013) Sergey V. Lyulin et al.   Soft Matter

Molecular-dynamics simulation of polyimide matrix pre-crystallization near the surface of a single-walled carbon nanotube

(2013) Sergey V. Larin et al.   RSC Advances

Effects of Polymer Structure on Properties of Sulfonated Polyimide/Protic Ionic Liquid Composite Membranes for Nonhumidified Fuel Cell Applications

(2012) Tomohiro Yasuda et al.   ACS Applied Materials & Interfaces

Optimization of the OPLS-AA Force Field for Long Hydrocarbons

(2012) Shirley W. I. Siu et al.   Journal of Chemical Theory and Computation

Mechanical properties of polymer near graphite sheet

(2012) Jing-Suei Gao et al.   JOURNAL OF COMPOSITE MATERIALS

Effect of the SO2 group in the diamine fragment of polyimides on their structural, thermophysical, and mechanical properties

(2012) S. V. Lyulin et al.   POLYMER SCIENCE SERIES A

Advanced polyimide materials: Syntheses, physical properties and applications

(2012) Der-Jang Liaw et al.   PROGRESS IN POLYMER SCIENCE

Investigating the stress distribution of single walled carbon nanotubes embedded in polyimide nanocomposites

(2011) Shi-Hua Tzeng et al.   JOURNAL OF REINFORCED PLASTICS AND COMPOSITES

Structural Determination of Extem XH 1015 and Its Gas Permeability Comparison with Polysulfone and Ultem via Molecular Simulation

(2010) Jianzhong Xia et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Evolution of ultra-thin dense-selective layer from single-layer to dual-layer hollow fibers using novel Extem® polyetherimide for gas separation

(2010) Na Peng et al.   JOURNAL OF MEMBRANE SCIENCE

Carbon Dioxide Solubility in Three Fluorinated Polyimides Studied by Molecular Dynamics Simulations

(2010) Sudharsan Pandiyan et al.   MACROMOLECULES

Molecular dynamics simulation of mixed matrix nanocomposites containing polyimide and polyhedral oligomeric silsesquioxane (POSS)

(2009) Yin Yani et al.   POLYMER

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

Investigation of the fundamental differences between polyamide-imide (PAI) and polyetherimide (PEI) membranes for isopropanol dehydration via pervaporation

(2008) Yan Wang et al.   JOURNAL OF MEMBRANE SCIENCE