Sentence examples for chemical modelling from inspiring English sources

Different aspects of quantum chemical modelling of catalytic systems are discussed.

State-of-the-art in the field of quantum chemical modelling of the heterogeneous electron transfer processes is reviewed.

Given that chemical modelling tools like HYSYS has just delivered an XML infrastructure that aims to support collaborative engineering, this proposed technique is timely and relevant.

Batch experiments were carried out using both synthetic P solution and real wastewater, followed by chemical modelling and X-ray absorption near edge structure (XANES) spectroscopy.

The goal of this research work is to develop a useful and universal estimation procedure to determine simultaneously the kinetic parameters involved in the chemical modelling under study such as combustion, pyrolysis, waste stabilization, etc.

Although there are some reports on the use of molecular modelling in understanding the mechanism of corrosion inhibition of plant extracts major components on metals and alloys [66, 67, 68], only one report to the best of the authors' knowledge exists on quantum chemical modelling of major components of natural gums [69].

This makes such materials convenient model systems for basic mechanistic studies and quantum chemical modeling [4 10].

A quantum chemical modeling at DFT//B3LYP/6-31G d DFT//B3LYP/6-31G dthe experimental results.

This study presents a coupled thermo-mechanical-chemical modelling methodology developed to improve our understanding the UCG process.

That allows us to make a detailed chemical model of every atom in this molecule.

Spidery lattices, like chemical models, whirl slowly in what might be a reactive dance.