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Predicting Catalysis: Understanding Ammonia Synthesis from First-Principles Calculations

✍ Scribed by A. Hellman; et al. et al.

Publisher: John Wiley and Sons
Year: 2006
Weight: 8 KB
Volume: 37
Category: Article
ISSN: 0931-7597
DOI: 10.1002/chin.200647224

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📜 SIMILAR VOLUMES

Ammonia Synthesis from First-Principles

Ammonia Synthesis from First-Principles Calculations.

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## Abstract For Abstract see ChemInform Abstract in Full Text.

Catalytic Hydrogenation of Unsaturated A

Catalytic Hydrogenation of Unsaturated Aldehydes on Pt(111): Understanding the Selectivity from First-Principles Calculations

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Catalytic Hydrogenation of Unsaturated A

Catalytic Hydrogenation of Unsaturated Aldehydes on Pt(111): Understanding the Selectivity from First-Principles Calculations

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Titelbild: Catalytic Hydrogenation of Un

Titelbild: Catalytic Hydrogenation of Unsaturated Aldehydes on Pt(111): Understanding the Selectivity from First-Principles Calculations (Angew. Chem. 33/2005)

✍ David Loffreda; Françoise Delbecq; Fabienne Vigné; Philippe Sautet 📂 Article 📅 2005 🏛 John Wiley and Sons 🌐 English ⚖ 76 KB 👁 2 views

Cover Picture: Catalytic Hydrogenation o

Cover Picture: Catalytic Hydrogenation of Unsaturated Aldehydes on Pt(111): Understanding the Selectivity from First-Principles Calculations (Angew. Chem. Int. Ed. 33/2005)

✍ David Loffreda; Françoise Delbecq; Fabienne Vigné; Philippe Sautet 📂 Article 📅 2005 🏛 John Wiley and Sons 🌐 English ⚖ 75 KB 👁 2 views

**The selective hydrogenation** of unsaturated aldehydes such as propenal on a Pt(111) surface, as shown in the cover picture, is an example of a heterogeneous catalysis reaction that yields two competitive products: propenol and propanal. The selectivity of this reaction is controlled by the balanc