Simulation of chiral ordering process by Monte Carlo methods : A first-principles statistical mechanics study
Language: English
Published by VDM Verlag Dr. Müller, 2010
- Softcover
- New
Seller: AHA-BUCH GmbH, Einbeck, GermanyAHA-BUCH GmbH
AbeBooks seller since August 14, 2006
Condition: New
£ 85.38
Quantity: 2 available
Add to basketItem description from seller
nach der Bestellung gedruckt Neuware - Printed after ordering - 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, over the whole phase space of temperature and coverage. Interestingly, we find that molecular vibrations play a key role in the ensuing ordered structures, and that tuning the fabrication temperature should allow for a wide range of molecular separations, which can be targeted at specific molecules and reactions in chiral heterogeneous catalysis.…
Seller Inventory # 9783639236293
- Title
- Simulation of chiral ordering process by Monte Carlo methods : A first-principles statistical mechanics study
- Author
- Serge Ayissi
- Publisher
- VDM Verlag Dr. Müller
- Publication year
- 2010
- Condition
- Neu
- Binding
- Taschenbuch
- Language
- English
- ISBN 10
- 3639236297
- ISBN 13
- 9783639236293
- Item weight
- 273 grams
- Dimensions
- 220x150x12 mm
"Synopsis" may belong to another edition of this title.
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| Item | 5 to 7 business days | 7 to 10 business days |
|---|---|---|
| First item | £ 26.09 | £ 26.09 |
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