Anionic polyelectrolyte poly(acrylic acid) (PAA) chain shrinkage in water–ethanol solution in presence of Li+ and Cs+ metal ions studied by molecular dynamics simulations

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Anionic polyelectrolyte poly(acrylic acid) (PAA) chain shrinkage in water–ethanol solution in presence of Li+ and Cs+ metal ions studied by molecular dynamics simulations

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im Januar 2017 veröffentlichter wissenschaftlicher Artikel

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wetenschappelijk artikel

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наукова стаття, опублікована в січні 2017

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Anionic polyelectrolyte poly

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Anionic polyelectrolyte poly(a ...... molecular dynamics simulations

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Anionic polyelectrolyte poly

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Anionic polyelectrolyte poly(a ...... molecular dynamics simulations

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Anionic polyelectrolyte poly

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Anionic polyelectrolyte poly(a ...... molecular dynamics simulations

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P1476

Anionic polyelectrolyte poly(a ...... molecular dynamics simulations

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P2093

Abhishek K. Gupta

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Upendra Natarajan

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P2860

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

UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations

The missing term in effective pair potentials

Effects of Temperature Control Algorithms on Transport Properties and Kinetics in Molecular Dynamics Simulations.

Molecular dynamics simulation of confined fluids in isosurface-isothermal-isobaric ensemble.

Liquid state theory of polyelectrolyte solutions.

Polyelectrolyte conformational transition in aqueous solvent mixture influenced by hydrophobic interactions and hydrogen bonding effects: PAA-water-ethanol.

Simulating water with rigid non-polarizable models: a general perspective.

Investigation of the structure of ethanol-water mixtures by molecular dynamics simulation I: analyses concerning the hydrogen-bonded pairs.

Strong intermolecular association between short poly(ethacrylic acid) chains in aqueous solutions.

P304

625-637

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scholarly article

P356

10.1080/08927022.2017.1279288

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P433

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P478

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P577

2017-01-24T00:00:00Z

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