Structure and dynamics of stereo-regular poly(methyl-methacrylate) melts through atomistic molecular dynamics simulations

Alireza F. Behbahani; S. Mehdi Vaez Allaei; Ghodratollah H. Motlagh; Hossein Eslami; Vagelis A. Harmandaris

doi:10.1039/c7sm02008b

Structure and dynamics of stereo-regular poly(methyl-methacrylate) melts through atomistic molecular dynamics simulations

Soft Matter ◽

10.1039/c7sm02008b ◽

2018 ◽

Vol 14 (8) ◽

pp. 1449-1464 ◽

Cited By ~ 10

Author(s):

Alireza F. Behbahani ◽

S. Mehdi Vaez Allaei ◽

Ghodratollah H. Motlagh ◽

Hossein Eslami ◽

Vagelis A. Harmandaris

Keyword(s):

Molecular Dynamics ◽

Methyl Methacrylate ◽

Molecular Dynamics Simulations ◽

Poly Methyl Methacrylate ◽

Structure And Dynamics ◽

Dynamics Simulations ◽

Different Parts

Various dynamical modes, conformations of different parts of the chain, and local packing characteristics are analyzed in detail for PMMA stereo-isomers.

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Structure and dynamics of poly(methyl methacrylate)/graphene systems through atomistic molecular dynamics simulations

Journal of Nanoparticle Research ◽

10.1007/s11051-013-1589-2 ◽

2013 ◽

Vol 15 (5) ◽

Cited By ~ 50

Author(s):

Anastassia N. Rissanou ◽

Vagelis Harmandaris

Keyword(s):

Molecular Dynamics ◽

Methyl Methacrylate ◽

Molecular Dynamics Simulations ◽

Poly Methyl Methacrylate ◽

Structure And Dynamics ◽

Dynamics Simulations

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Hydrogen bonding in stereoregular poly(methyl methacrylate)/poly(vinyl chloride) blends as studied by molecular dynamics simulations

Molecular Simulation ◽

10.1080/08927022.2014.899695 ◽

2014 ◽

Vol 41 (7) ◽

pp. 547-554 ◽

Cited By ~ 4

Author(s):

Chaofu Wu

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bonding ◽

Methyl Methacrylate ◽

Molecular Dynamics Simulations ◽

Vinyl Chloride ◽

Poly Methyl Methacrylate ◽

Poly Vinyl Chloride ◽

Dynamics Simulations

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Local Structure of Syndiotactic Poly(methyl methacrylate). A Combined Study by Neutron Diffraction with Polarization Analysis and Atomistic Molecular Dynamics Simulations

Macromolecules ◽

10.1021/ma060370t ◽

2006 ◽

Vol 39 (11) ◽

pp. 3947-3958 ◽

Cited By ~ 34

Author(s):

A.-C. Genix ◽

A. Arbe ◽

F. Alvarez ◽

J. Colmenero ◽

W. Schweika ◽

...

Keyword(s):

Molecular Dynamics ◽

Neutron Diffraction ◽

Methyl Methacrylate ◽

Molecular Dynamics Simulations ◽

Local Structure ◽

Polarization Analysis ◽

Poly Methyl Methacrylate ◽

Dynamics Simulations

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Electric Field Poled Polymeric Nonlinear Optical Systems: Molecular Dynamics Simulations of Poly(methyl methacrylate) Doped with Disperse Red Chromophores

The Journal of Physical Chemistry B ◽

10.1021/jp067384l ◽

2007 ◽

Vol 111 (14) ◽

pp. 3591-3598 ◽

Cited By ~ 18

Author(s):

Yaoquan Tu ◽

Qiong Zhang ◽

Hans Ågren

Keyword(s):

Molecular Dynamics ◽

Electric Field ◽

Methyl Methacrylate ◽

Molecular Dynamics Simulations ◽

Nonlinear Optical ◽

Optical Systems ◽

Poly Methyl Methacrylate ◽

Dynamics Simulations

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Elucidating the Thermal, Chemical, and Mechanical Mechanisms of Ultraviolet Ablation in Poly(methyl methacrylate) via Molecular Dynamics Simulations

Accounts of Chemical Research ◽

10.1021/ar700278y ◽

2008 ◽

Vol 41 (8) ◽

pp. 915-924 ◽

Cited By ~ 13

Author(s):

Patrick F. Conforti ◽

Manish Prasad ◽

Barbara J. Garrison

Keyword(s):

Molecular Dynamics ◽

Methyl Methacrylate ◽

Molecular Dynamics Simulations ◽

Poly Methyl Methacrylate ◽

Dynamics Simulations

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Molecular Structure of Poly(methyl methacrylate) Surface. I. Combination of Interface-Sensitive Infrared–Visible Sum Frequency Generation, Molecular Dynamics Simulations, and ab Initio Calculations

Langmuir ◽

10.1021/la502333u ◽

2014 ◽

Vol 30 (39) ◽

pp. 11609-11618 ◽

Cited By ~ 30

Author(s):

He Zhu ◽

Kshitij C. Jha ◽

Ram S. Bhatta ◽

Mesfin Tsige ◽

Ali Dhinojwala

Keyword(s):

Molecular Structure ◽

Molecular Dynamics ◽

Methyl Methacrylate ◽

Ab Initio Calculations ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Sum Frequency Generation ◽

Poly Methyl Methacrylate ◽

Sum Frequency ◽

Dynamics Simulations

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Coarse-grained molecular dynamics simulations of stereoregular poly(methyl methacrylate)/poly(vinyl chloride) blends

Journal of Polymer Science Part B Polymer Physics ◽

10.1002/polb.23608 ◽

2014 ◽

Vol 53 (3) ◽

pp. 203-212 ◽

Cited By ~ 11

Author(s):

Chaofu Wu

Keyword(s):

Molecular Dynamics ◽

Methyl Methacrylate ◽

Molecular Dynamics Simulations ◽

Vinyl Chloride ◽

Coarse Grained ◽

Poly Methyl Methacrylate ◽

Poly Vinyl Chloride ◽

Dynamics Simulations ◽

Coarse Grained Molecular Dynamics

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Self- and Collective Dynamics of Syndiotactic Poly(methyl methacrylate). A Combined Study by Quasielastic Neutron Scattering and Atomistic Molecular Dynamics Simulations

Macromolecules ◽

10.1021/ma0607719 ◽

2006 ◽

Vol 39 (18) ◽

pp. 6260-6272 ◽

Cited By ~ 35

Author(s):

A.-C. Genix ◽

A. Arbe ◽

F. Alvarez ◽

J. Colmenero ◽

B. Farago ◽

...

Keyword(s):

Molecular Dynamics ◽

Methyl Methacrylate ◽

Neutron Scattering ◽

Molecular Dynamics Simulations ◽

Collective Dynamics ◽

Poly Methyl Methacrylate ◽

Quasielastic Neutron ◽

Quasielastic Neutron Scattering ◽

Dynamics Simulations

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Faculty Opinions recommendation of Molecular dynamics simulations of the native and partially folded states of ubiquitin: influence of methanol cosolvent, pH, and temperature on the protein structure and dynamics.

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

10.3410/f.1088149.542736 ◽

2007 ◽

Author(s):

Bernard Montgomery Pettitt

Keyword(s):

Molecular Dynamics ◽

Protein Structure ◽

Molecular Dynamics Simulations ◽

Structure And Dynamics ◽

Dynamics Simulations ◽

Partially Folded States ◽

Protein Structure And Dynamics

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Structure and Dynamics of Multiple Cationic Vectors−siRNA Complexation by All-Atomic Molecular Dynamics Simulations

The Journal of Physical Chemistry B ◽

10.1021/jp911913c ◽

2010 ◽

Vol 114 (28) ◽

pp. 9231-9237 ◽

Cited By ~ 37

Author(s):

Defang Ouyang ◽

Hong Zhang ◽

Harendra S. Parekh ◽

Sean C. Smith

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Structure And Dynamics ◽

Dynamics Simulations

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