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Carbon Dioxide Diffusion and Plasticization in Fluorinated Polyimides

Macromolecules, 2010-09, Vol.43 (18), p.7813-7827

2010

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A comparison of homopolymer and block copolymer structure in 6FDA-based polyimides

Physical chemistry chemical physics : PCCP, 2014-11, Vol.16 (42), p.23044-23055

2014

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A Trajectory-Extending Kinetic Monte Carlo (TEKMC) Method for Estimating Penetrant Diffusion Coefficients in Molecular Dynamics Simulations of Glassy Polymers

Macromolecules, 2010-11, Vol.43 (21), p.9210-9214

2010

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An Empirically Optimized Classical Force-Field for Molecular Simulations of 2,4,6-Trinitrotoluene (TNT) and 2,4-Dinitrotoluene (DNT)

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-08, Vol.116 (32), p.8374-8381

2012

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The structure of amino-functionalized polyhedral oligomeric silsesquioxanes (POSS) studied by molecular dynamics simulations

Computational materials science, 2012-09, Vol.62, p.258-265

2012

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Atomistic models of three fluorinated polyimides in the amorphous state

Journal of polymer science. Part B, Polymer physics, 2009-06, Vol.47 (12), p.1166-1180

2009

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Preparation of bulk melt chain configurations of polycyclic polymers

The Journal of chemical physics, 2001-07, Vol.115 (2), p.708-717

2001

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Chemical Influence of the Dianhydride and the Diamine Structure on a Series of Copolyimides Studied by Molecular Dynamics Simulations

Macromolecules, 2002-12, Vol.35 (27), p.10198-10209

2002

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A new all-atom force field for crystalline cellulose I

Journal of applied polymer science, 2000-12, Vol.78 (11), p.1939-1946

2000

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The Molecular Structure and Dynamics of Short Oligomers of PMDA-ODA and BCDA-ODA Polyimides in the Absence and Presence of Water

The journal of physical chemistry. B, 2002-05, Vol.106 (18), p.4617-4631

2002

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Influence of System Size in Molecular Dynamics Simulations of Gas Permeation in Glassy Polymers

Macromolecules, 2004-12, Vol.37 (26), p.10109-10122

2004

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Interface between End-Functionalized PEO Oligomers and a Silica Nanoparticle Studied by Molecular Dynamics Simulations

Macromolecules, 2004-06, Vol.37 (12), p.4695-4710

2004

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A comparison of homopolymer and block copolymer structure in 6FDA-based polyimidesElectronic supplementary information (ESI) available: Partial charges of the model fragments. See DOI: 10.1039/c4cp03039g

2014-10

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Effect of Interfacial Structure on Permeation Properties of Glassy Polymers

Macromolecules, 2005-11, Vol.38 (24), p.10286-10298

2005

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Volume Dependence of Molecular Flexibility in Poly(ethylene oxide) under Negative Pressure

Macromolecules, 2000-02, Vol.33 (4), p.1361-1369

2000

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Oxygen Transport in Amino-Functionalized Polyhedral Oligomeric Silsesquioxanes (POSS)

Soft materials, 2014-01, Vol.12 (1), p.113-123

2014

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Molecular dynamics simulation study of water in amorphous Kapton

International journal of biological macromolecules, 2008, Vol.41(9)

2008

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A general pressure tensor calculation for molecular dynamics simulations

Molecular physics, 1995-02, Vol.84 (3), p.577-595

1995

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A computer simulation study of the chain configurations in poly(ethylene oxide)-homolog melts

The Journal of chemical physics, 1995-06, Vol.102 (24), p.9725-9735

1995

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Molecular Modelling of Oxygen and Carbon Dioxide Permeation in Glassy Polymer Membranes

Procedia engineering, 2012, Vol.44, p.482-484

2012

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Molecular dynamics simulation of crystalline poly(ethylene oxide)

The Journal of chemical physics, 1994-12, Vol.101 (11), p.10064-10073

1994

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Copolyimides containing alicyclic and fluorinated groups: Solubility and gas separation properties

Journal of polymer science. Part B, Polymer physics, 2005-09, Vol.43 (17), p.2413-2426

2005

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Copolyimides with trifluoromethyl or methoxy substituents. NMR characterization

Polymer (Guilford), 2002-03, Vol.43 (7), p.1983-1992

2002

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Phase separation upon heating in model PEOx NaI polymer electrolytes

Electrochimica acta, 1998-04, Vol.43 (10-11), p.1343-1347

1998

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Copolyimides containing alicyclic and fluorinated groups: Characterization of the film microstructure

Journal of polymer science. Part B, Polymer physics, 2003-12, Vol.41 (23), p.2998-3010

2003

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Carbon Dioxide Diffusion and Plasticization in Fluorinated Polyimides

A comparison of homopolymer and block copolymer structure in 6FDA-based polyimides

A Trajectory-Extending Kinetic Monte Carlo (TEKMC) Method for Estimating Penetrant Diffusion Coefficients in Molecular Dynamics Simulations of Glassy Polymers

An Empirically Optimized Classical Force-Field for Molecular Simulations of 2,4,6-Trinitrotoluene (TNT) and 2,4-Dinitrotoluene (DNT)

The structure of amino-functionalized polyhedral oligomeric silsesquioxanes (POSS) studied by molecular dynamics simulations

Atomistic models of three fluorinated polyimides in the amorphous state

Preparation of bulk melt chain configurations of polycyclic polymers

Chemical Influence of the Dianhydride and the Diamine Structure on a Series of Copolyimides Studied by Molecular Dynamics Simulations

A new all-atom force field for crystalline cellulose I

The Molecular Structure and Dynamics of Short Oligomers of PMDA-ODA and BCDA-ODA Polyimides in the Absence and Presence of Water

Influence of System Size in Molecular Dynamics Simulations of Gas Permeation in Glassy Polymers

Interface between End-Functionalized PEO Oligomers and a Silica Nanoparticle Studied by Molecular Dynamics Simulations

A comparison of homopolymer and block copolymer structure in 6FDA-based polyimidesElectronic supplementary information (ESI) available: Partial charges of the model fragments. See DOI: 10.1039/c4cp03039g

Effect of Interfacial Structure on Permeation Properties of Glassy Polymers

Volume Dependence of Molecular Flexibility in Poly(ethylene oxide) under Negative Pressure

Oxygen Transport in Amino-Functionalized Polyhedral Oligomeric Silsesquioxanes (POSS)

Molecular dynamics simulation study of water in amorphous Kapton

A general pressure tensor calculation for molecular dynamics simulations

A computer simulation study of the chain configurations in poly(ethylene oxide)-homolog melts

Molecular Modelling of Oxygen and Carbon Dioxide Permeation in Glassy Polymer Membranes

Molecular dynamics simulation of crystalline poly(ethylene oxide)

Copolyimides containing alicyclic and fluorinated groups: Solubility and gas separation properties

Copolyimides with trifluoromethyl or methoxy substituents. NMR characterization

Phase separation upon heating in model PEOx NaI polymer electrolytes

Copolyimides containing alicyclic and fluorinated groups: Characterization of the film microstructure

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