20 research outputs found
From dimers to the solid-state: Distributed intermolecular force-fields for pyridine
Get PDFA.A. thanks A.W.E. financial support through the EngDoc studentship from M3S Centre for Doctoral Training (EPSRC Grant No. EP/G036675/1). General computational infrastructure used is developed under No. EPSRC EP/K039229/1
The interaction of oligo(ethylene glycol) with water: Testing an atomistic force field for transferability
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Computer simulation of water near structureless model surfaces and self-assembled monolayers: Interfacial behavior and hydration forces
No full textComputer Simulation of Water near the Surface of Oligo(ethylene glycol)-Terminated Alkanethiol Self-Assembled Monolayers â€
No full textComputer Simulation of Water-Mediated Adhesion Between Phospholipid Bilayer and Solid Support Functionalized with Self-Assembled Monolayers
No full textGrand Canonical Monte Carlo Simulations of the Hydration Interaction between Oligo(ethylene glycol)-Terminated Alkanethiol Self-Assembled Monolayers
No full textMonte Carlo Studies of Self-Assembled Monolayers Using Simple Generalized Models. 1. Behavior of Headgroups in a Periodic Substrate Field
No full textThe effect of electrostatic fields on an oligo(ethylene glycol) terminated alkanethiol self-assembled monolayer
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