Sentence examples for molecular simulation works from inspiring English sources

Many molecular simulation works assume that the cure conversion limit approaches 100% although it is unrealistic.

This work presents a molecular simulation study of plasma-polymerized polyaniline iodine compounds.

In this work, a molecular simulation technology is used to systematically study the effect of edge functionalization on the H2/CH4 separation through 2D graphene channels with width of 0.515~1.366 nm.

This work presents the molecular simulation program ms2 that is designed for the calculation of thermodynamic properties of bulk fluids in equilibrium consisting of small electro-neutral molecules.

In this work, a novel molecular simulation workflow is proposed to generate organic pores on residue-type kerogen molecules and to simulate the gas adsorption in the pores.

All the results of this work confirmed that molecular simulation techniques can be used as a tool for investigating the properties and applications of CFRs.

This work introduces the most relevant molecular simulation methods to help in the design of enantiopure molecularly imprinted catalysts, EMICs.

Molecular simulation thus has proven to be a useful adjunct to experimental work concerning the smectite interlayer.

Here's how the simulation works.

Molecular dynamics simulations of the pentameric protein were performed using the GROMOS11 molecular simulation package.

In this work, molecular simulations are used to evaluate the post-combustion CO2 capture properties of nanoscrolls made of graphene, α-, β-, and γ-graphyne, boron nitride, and three types of carbon nitride.