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Quantum chemistry modeling of structure, properties and catalytic activity of zeolites employing embedding approaches (GA203/06/1449)

The goal of our project is to computationally model structure, properties and catalytic activity of zeolites employing embedding approaches (QMPOT and ONIOM). We will model the distribution of Al in ZSM-5 zeolite using QMPOT. The av...

CF - Fyzikální chemie a teoretická chemie

  • 2006 - 2008
  • 2 112 tis. Kč
  • 2 112 tis. Kč
  • GA ČR
  • 1 - 1 out of 1