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Instituto de Catálisis y Petroleoquímica, (CSIC), Marie Curie 2, 28049 Madrid, Spain, and Instituto de Química-Física Rocasolano (CSIC), Serrano 119, 28006 Madrid, Spain. Article Views are the COUNTER ...
We use quantum mechanical calculations to develop a full set of force field parameters in order to perform molecular dynamics simulations to understand and optimize the molecular storage properties ...
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