Structure and Dynamics of Pyrene-Labeled Poly(acrylic acid): Molecular Dynamics Simulation Study

Acrylic Acid ◽

Simulation Study ◽

Dynamics Simulation ◽

Structure And Dynamics ◽

Conformational and intermolecular structure of stereoregular isomers of poly(acrylic acid) (PAA) and Na+-poly(acrylate) polyelectrolyte (Na+-PAA) in dilute aqueous solution: a molecular dynamics simulation study

Molecular Simulation ◽

10.1080/08927022.2020.1846036 ◽

2020 ◽

Vol 46 (18) ◽

pp. 1483-1499

Author(s):

Yogendra Kumar ◽

Abhishek K. Gupta ◽

Upendra Natarajan

Keyword(s):

Molecular Dynamics ◽

Aqueous Solution ◽

Acrylic Acid ◽

Simulation Study ◽

Dynamics Simulation ◽

Dilute Aqueous Solution ◽

Effects of composition ratio on the properties of poly(vinyl alcohol)/poly(acrylic acid) blend membrane: A molecular dynamics simulation study

Materials & Design ◽

10.1016/j.matdes.2015.10.048 ◽

2016 ◽

Vol 89 ◽

pp. 848-855 ◽

Cited By ~ 30

Author(s):

Qinghua Wei ◽

Yanen Wang ◽

Weihong Chai ◽

Tao Wang ◽

Yingfeng Zhang

Keyword(s):

Molecular Dynamics ◽

Acrylic Acid ◽

Simulation Study ◽

Vinyl Alcohol ◽

Dynamics Simulation ◽

Poly Vinyl Alcohol ◽

Blend Membrane ◽

Composition Ratio ◽

Adsorption of poly acrylic acid onto the surface of calcite: an experimental and simulation study

Physical Chemistry Chemical Physics ◽

10.1039/c5cp00945f ◽

2015 ◽

Vol 17 (41) ◽

pp. 27357-27365 ◽

Cited By ~ 35

Author(s):

David J. Sparks ◽

Maria E. Romero-González ◽

Elfateh El-Taboni ◽

Colin L. Freeman ◽

Shaun A. Hall ◽

...

Keyword(s):

Molecular Dynamics ◽

Acrylic Acid ◽

Simulation Study ◽

Dynamics Simulation ◽

Poly acrylic acid polymer binding to the surface of calcite during a molecular dynamics simulation.

Local intermolecular structure and dynamics in binary supercritical solutions. A molecular dynamics simulation study of methane in carbon dioxide

Journal of Molecular Liquids ◽

10.1016/j.molliq.2005.11.023 ◽

2006 ◽

Vol 125 (2-3) ◽

pp. 181-186 ◽

Cited By ~ 15

Author(s):

Ioannis Skarmoutsos ◽

Jannis Samios

Keyword(s):

Carbon Dioxide ◽

Molecular Dynamics ◽

Simulation Study ◽

Dynamics Simulation ◽

Structure And Dynamics ◽

Supercritical Solutions

Water hydrogen-bonding structure and dynamics near lipid multibilayer surface: Molecular dynamics simulation study with direct experimental comparison

The Journal of Chemical Physics ◽

10.1063/1.5120456 ◽

2019 ◽

Vol 151 (11) ◽

pp. 114705 ◽

Cited By ~ 6

Author(s):

Euihyun Lee ◽

Achintya Kundu ◽

Jonggu Jeon ◽

Minhaeng Cho

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bonding ◽

Simulation Study ◽

Dynamics Simulation ◽

Experimental Comparison ◽

Bonding Structure ◽

Structure And Dynamics ◽

Water Hydrogen

Effects of Silica Surfaces on the Structure and Dynamics of Room-Temperature Ionic Liquids: A Molecular Dynamics Simulation Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.7b10567 ◽

2017 ◽

Vol 122 (1) ◽

pp. 624-634 ◽

Cited By ~ 18

Author(s):

Tamisra Pal ◽

Constantin Beck ◽

Dominik Lessnich ◽

Michael Vogel

Keyword(s):

Molecular Dynamics ◽

Ionic Liquids ◽

Simulation Study ◽

Room Temperature ◽

Dynamics Simulation ◽

Room Temperature Ionic Liquids ◽

Silica Surfaces ◽

Effect of Uranyl Ion Concentration on Structure and Dynamics of Aqueous Uranyl Solution: A Molecular Dynamics Simulation Study

The Journal of Physical Chemistry B ◽

10.1021/jp506477s ◽

2014 ◽

Vol 118 (49) ◽

pp. 14373-14381 ◽

Cited By ~ 18

Author(s):

Manish Chopra ◽

Niharendu Choudhury

Keyword(s):

Molecular Dynamics ◽

Simulation Study ◽

Uranyl Ion ◽

Ion Concentration ◽

Dynamics Simulation ◽

Intermolecular structure and dynamics in an ionic liquid: A Car–Parrinello molecular dynamics simulation study of 1,3-dimethylimidazolium chloride

Chemical Physics Letters ◽

10.1016/j.cplett.2005.10.050 ◽

2006 ◽

Vol 417 (4-6) ◽

pp. 486-491 ◽

Cited By ~ 115

Author(s):

B.L. Bhargava ◽

S. Balasubramanian

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Simulation Study ◽

Dynamics Simulation ◽

Structure and dynamics of liquid and undercooled Cux-Zr1-x alloys: an ab initio molecular dynamics simulation study

10.1557/proc-1152-tt05-02 ◽

2008 ◽

Author(s):

Alain Pasturel ◽

Noel Jakse

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Simulation Study ◽

Dynamics Simulation ◽

Ab Initio Molecular Dynamics ◽

Surface charge induced modifications of the structure and dynamics of mixed dipolar liquids at solid–liquid interfaces: A molecular dynamics simulation study

The Journal of Chemical Physics ◽

10.1063/1.1318773 ◽

2000 ◽

Vol 113 (19) ◽

pp. 8817-8826 ◽

Cited By ~ 3

Author(s):

Sanjib Senapati ◽

Amalendu Chandra

Keyword(s):

Molecular Dynamics ◽

Surface Charge ◽

Simulation Study ◽

Dynamics Simulation ◽

Liquid Interfaces ◽

Structure And Dynamics ◽

Solid Liquid