Density Functional Theory-Based Molecular Dynamics Simulation of Acid-Catalyzed Chemical Reactions in Liquid Trioxane

✍ Scribed by Curioni, Alessandro; Sprik, Michiel; Andreoni, Wanda; Schiffer, Heinz; Hutter, Jürg; Parrinello, Michele

• Book ID: 120381581
• Publisher: American Chemical Society
• Year: 1997
• Tongue: English
• Weight: 306 KB
• Volume: 119
• Category: Article
• ISSN: 0002-7863
• DOI: 10.1021/ja970935o