Simulation of chiral ordering process by Monte Carlo methods
Serge Ayissi
Broschiertes Buch

Simulation of chiral ordering process by Monte Carlo methods

A first-principles statistical mechanics study

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Chiral heterogeneous catalysts are mostly fabricated from chiral molecules on a metal support. They play a crucial role in intermediate reactions in the fabrication of pharmacies, itself and important part of today's health economy. However, the key parameters in the fabrication of these catalysts, a requirements for their rational design, are still poorly understood despite years of experimental research. In essence, such an understanding can only come from high-level simulations. Here, we present the first predictions about the structure of such a catalyst, tartaric acid on a copper support,...