Integral equation theory for atactic polystyrene melt with a coarse-grained model

Lei Zhao; Yi-Gui Li; Jianguo Mi; Chongli Zhong

doi:10.1063/1.2038891

Integral equation theory for atactic polystyrene melt with a coarse-grained model

The Journal of Chemical Physics ◽

10.1063/1.2038891 ◽

2005 ◽

Vol 123 (12) ◽

pp. 124905 ◽

Cited By ~ 10

Author(s):

Lei Zhao ◽

Yi-Gui Li ◽

Jianguo Mi ◽

Chongli Zhong

Keyword(s):

Integral Equation ◽

Coarse Grained ◽

Integral Equation Theory ◽

Polystyrene Melt ◽

Coarse Grained Model ◽

Atactic Polystyrene

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Conformational Properties of a Polymer in an Ionic Liquid: Computer Simulations and Integral Equation Theory of a Coarse-Grained Model

The Journal of Physical Chemistry B ◽

10.1021/jp508876q ◽

2014 ◽

Vol 119 (29) ◽

pp. 9091-9097 ◽

Cited By ~ 7

Author(s):

Eunsong Choi ◽

Arun Yethiraj

Keyword(s):

Integral Equation ◽

Ionic Liquid ◽

Computer Simulations ◽

Coarse Grained ◽

Integral Equation Theory ◽

Coarse Grained Model ◽

Conformational Properties

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Description of the Structure and Properties of Atactic Polystyrene Melt Using Integral Equation Theory

Chinese Journal of Chemistry ◽

10.1002/cjoc.200790351 ◽

2007 ◽

Vol 25 (12) ◽

pp. 1904-1910

Author(s):

Lei ZHAO ◽

Yi-Gui LI ◽

Chong-Li ZHONG

Keyword(s):

Integral Equation ◽

Integral Equation Theory ◽

Structure And Properties ◽

Polystyrene Melt ◽

Atactic Polystyrene

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Thermodynamic Consistency between Analytic Integral Equation Theory and Coarse-Grained Molecular Dynamics Simulations of Homopolymer Melts

Macromolecules ◽

10.1021/ma301502w ◽

2012 ◽

Vol 45 (20) ◽

pp. 8482-8493 ◽

Cited By ~ 28

Author(s):

J. McCarty ◽

A. J. Clark ◽

I. Y. Lyubimov ◽

M. G. Guenza

Keyword(s):

Molecular Dynamics ◽

Integral Equation ◽

Molecular Dynamics Simulations ◽

Thermodynamic Consistency ◽

Coarse Grained ◽

Integral Equation Theory ◽

Dynamics Simulations ◽

Coarse Grained Molecular Dynamics

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Integral Equation Theory for Gas Sorption and Swelling of Glassy Atactic Polystyrene

Industrial & Engineering Chemistry Research ◽

10.1021/ie901728p ◽

2010 ◽

Vol 49 (10) ◽

pp. 4914-4922 ◽

Cited By ~ 11

Author(s):

Qinzhi Xu ◽

Jianguo Mi ◽

Chongli Zhong

Keyword(s):

Integral Equation ◽

Integral Equation Theory ◽

Gas Sorption ◽

Atactic Polystyrene

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Integral equation theory for atactic polystyrene nanocomposite melts with a multi-site model

The Journal of Chemical Physics ◽

10.1063/1.4882355 ◽

2014 ◽

Vol 140 (23) ◽

pp. 234901 ◽

Cited By ~ 4

Author(s):

Qinzhi Xu ◽

Lan Chen

Keyword(s):

Integral Equation ◽

Integral Equation Theory ◽

Site Model ◽

Atactic Polystyrene

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Faculty Opinions recommendation of Optimization and evaluation of a coarse-grained model of protein motion using x-ray crystal data.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.1046938.496965 ◽

2006 ◽

Author(s):

Jeffry Madura

Keyword(s):

Coarse Grained ◽

Crystal Data ◽

Protein Motion ◽

X Ray ◽

Coarse Grained Model

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Selective Ion Binding by Protein Probed with the Statistical Mechanical Integral Equation Theory

The Journal of Physical Chemistry B ◽

10.1021/jp0685535 ◽

2007 ◽

Vol 111 (17) ◽

pp. 4588-4595 ◽

Cited By ~ 34

Author(s):

Norio Yoshida ◽

Saree Phongphanphanee ◽

Fumio Hirata

Keyword(s):

Integral Equation ◽

Integral Equation Theory ◽

Ion Binding ◽

Statistical Mechanical

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Efficient Hybrid Particle-Field Coarse-Grained Model of Polymer Filler Interactions: Multiscale Hierarchical Structure of Carbon Black Particles in Contact with Polyethylene

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.0c01095 ◽

2021 ◽

Author(s):

Stefano Caputo ◽

Velichko Hristov ◽

Antonio De Nicola ◽

Harald Herbst ◽

Antonio Pizzirusso ◽

...

Keyword(s):

Carbon Black ◽

Hierarchical Structure ◽

Coarse Grained ◽

Particle Field ◽

Hybrid Particle ◽

Coarse Grained Model ◽

Polymer Filler

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Integral equation theory of biaxial liquid crystalline system

10.1063/5.0052787 ◽

2021 ◽

Author(s):

Sahire Azam Ansary ◽

Pankaj Mishra

Keyword(s):

Integral Equation ◽

Liquid Crystalline ◽

Integral Equation Theory ◽

Crystalline System ◽

Liquid Crystalline System

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A new one-site coarse-grained model for water: Bottom-up many-body projected water (BUMPer). II. Temperature transferability and structural properties at low temperature

The Journal of Chemical Physics ◽

10.1063/5.0026652 ◽

2021 ◽

Vol 154 (4) ◽

pp. 044105

Author(s):

Jaehyeok Jin ◽

Alexander J. Pak ◽

Yining Han ◽

Gregory A. Voth

Keyword(s):

Low Temperature ◽

Structural Properties ◽

Coarse Grained ◽

Many Body ◽

Bottom Up ◽

Coarse Grained Model ◽

Water Bottom

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