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The XCHEM project develops software for quantum chemistry to accurately describe molecular ionization processes. This tool aims to assist researchers in predicting chemical reactions and designing new compounds, enhancing scientific exploration in various fields.
Commercial quantum-chemistry computational packages are widely used in science and chemical industry to predict the properties and reactivity of molecules and to design new compounds and drugs that can eventually be synthesized in the laboratory.
The software developed in the framework of the ERC AdG project XCHEM is aimed at providing a full quantum mechanical description of a large variety of chemical processes that cannot be addressed by standard quantum chemistry packages, namely those proce…
UNIVERSIDAD AUTONOMA DE MADRID
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