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Intertek ASG Laboratory, Manchester, UK > Informatics and Computational Chemistry > Computational Chemistry Computational Chemistry ServicesState-of-the-art computational chemistry software can be used to accurately calculate molecular properties. Many of these properties mirror those that can be measured experimentally. Through careful selection of methodology, the results of calculations can be used to predict molecular features, interpret experimental data and understand molecular effects and behaviour. The Intertek ASG Informatics and Computational Chemistry Group is virtually unique in that it is part of a commercial organisation set up to provide services to customers on a contract basis. We provide the hardware and software platform, and the expertise in selecting the best methodology, setting up and running calculations, and interpreting the results leaving you free to think about how the results fit into the bigger scientific picture. The computational chemistry services offered fall into two groups: Molecular Structure and Interactions
The results of these calculations provide an insight into structural properties including:
Molecular Property Calculation
The results of these calculations can be used to help understand properties including:
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